ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Feb16-2023 07:49:40 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.03 0.40 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Feb16-2023 07:49:40 Nodes: 1 Procs: 1 Feb16-2023 07:49:41 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Feb16-2023 07:49:41 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.58 0.03 0.65 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Feb16-2023 07:49:40 Nodes: 1 Procs: 1 Feb16-2023 07:49:41 Nodes: 1 Procs: 1 0 Feb16-2023 07:49:41 Nodes: 1 Procs: 1 Feb16-2023 07:49:41 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Feb16-2023 07:49:42 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.03 0.81 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Feb16-2023 07:49:40 Nodes: 1 Procs: 1 Feb16-2023 07:49:41 Nodes: 1 Procs: 1 0 Feb16-2023 07:49:41 Nodes: 1 Procs: 1 Feb16-2023 07:49:41 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Feb16-2023 07:49:42 Nodes: 1 Procs: 1 Feb16-2023 07:49:43 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Feb16-2023 07:49:44 Hydrogen (TZP) kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 kimik2201 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.44 0.03 0.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Feb16-2023 07:49:40 Nodes: 1 Procs: 1 Feb16-2023 07:49:41 Nodes: 1 Procs: 1 0 Feb16-2023 07:49:41 Nodes: 1 Procs: 1 Feb16-2023 07:49:41 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Feb16-2023 07:49:42 Nodes: 1 Procs: 1 Feb16-2023 07:49:43 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Feb16-2023 07:49:44 Nodes: 1 Procs: 1 Feb16-2023 07:49:44 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Feb16-2023 07:49:45 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 1822.229760999997 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203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -7.922 -7.908 -7.878 -7.865 -7.851 -7.795 -7.761 -7.727 -7.504 -7.472 -5.333 -5.254 -5.050 -5.001 -4.929 -4.875 -4.802 -4.736 -4.701 -4.492 A A A A A A A A A A A A A A A A A A A A 0.00000000093794 0.00041184390488 0.00017603284089 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 42 42 42 42 42 42 42 42 42 42 42 42 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 15 1 1 0.036926 -2.437363 2.643578 0.012051 -2.545776 -2.548889 0.161462 2.484327 -2.647002 -0.157853 2.544181 2.612494 2.552855 -2.553925 0.197029 2.492429 2.610495 -0.078071 -2.459222 2.559921 0.004866 -2.478642 -2.596387 -0.103769 -2.524485 -0.207730 -2.588210 -2.665467 0.143066 2.494264 2.559730 -0.007393 2.559280 2.626829 0.101260 -2.497858 0.902400 -0.877728 0.899543 -0.874366 -0.903799 -0.922049 0.913117 0.904031 -0.917807 -0.910212 0.917612 0.857881 -2.999978 -1.170380 1.193732 2.983378 -1.225311 -1.149741 -2.982450 1.213722 -1.091915 3.035738 1.169774 1.153205 1.165534 -1.140785 -3.041352 1.206137 1.195732 3.072693 -1.183735 1.182875 -2.969842 -1.201071 -1.155744 3.094047 -1.116066 3.061270 -1.137042 -1.126595 -3.000480 1.179446 1.170785 3.007278 1.209271 1.184250 -3.033576 -1.160928 3.405748 -1.499296 1.456473 -3.391269 -1.456056 -1.451608 3.396291 1.501660 -1.495361 -3.379322 1.571336 1.514128 1.553735 -1.504503 3.355677 1.546877 1.486036 -3.442515 -1.488457 1.468172 3.412305 -1.517845 -1.516521 -3.433801 -1.505730 -3.365456 -1.539613 -1.499112 3.365263 1.497932 1.512165 -3.361569 1.447038 1.503887 3.383200 -1.531415 -0.182560 -3.687256 3.788776 0.289125 -3.737498 -3.742200 -0.174520 3.689658 -3.809254 0.115962 3.750685 3.788050 3.861667 -3.809832 -0.215356 3.690328 3.796037 0.203074 -3.741955 3.884924 -0.249450 -3.680323 -3.774070 0.194799 -3.757782 0.175626 -3.707203 -3.858322 -0.139406 3.683959 3.791067 0.232749 3.718715 3.830377 -0.234233 -3.661200 0.007294 0.010006 -0.024168 -4.460463 3.762769 -0.910859 3.809659 -4.703443 0.196538 1 3 -3 0.036926 -2.437363 2.643578 Rho 0.1240647E+06 3,-3 2 3 -3 0.012051 -2.545776 -2.548889 Rho 0.1240648E+06 3,-3 3 3 -3 0.161462 2.484327 -2.647002 Rho 0.1240648E+06 3,-3 4 3 -3 -0.157853 2.544181 2.612494 Rho 0.1240648E+06 3,-3 5 3 -3 2.552855 -2.553925 0.197029 Rho 0.1240649E+06 3,-3 6 3 -3 2.492429 2.610495 -0.078071 Rho 0.1240648E+06 3,-3 7 3 -3 -2.459222 2.559921 0.004866 Rho 0.1240649E+06 3,-3 8 3 -3 -2.478642 -2.596387 -0.103769 Rho 0.1240648E+06 3,-3 9 3 -3 -2.524485 -0.207730 -2.588210 Rho 0.1240648E+06 3,-3 10 3 -3 -2.665467 0.143066 2.494264 Rho 0.1240648E+06 3,-3 11 3 -3 2.559730 -0.007393 2.559280 Rho 0.1240648E+06 3,-3 12 3 -3 2.626829 0.101260 -2.497858 Rho 0.1240648E+06 3,-3 13 3 -3 0.902400 -0.877728 0.899543 Rho 0.3188066E+03 3,-3 14 3 -3 -0.874366 -0.903799 -0.922049 Rho 0.3187844E+03 3,-3 15 3 -3 0.913117 0.904031 -0.917807 Rho 0.3187844E+03 3,-3 16 3 -3 -0.910212 0.917612 0.857881 Rho 0.3188005E+03 3,-3 17 3 -3 -2.999978 -1.170380 1.193732 Rho 0.3190417E+03 3,-3 18 3 -3 2.983378 -1.225311 -1.149741 Rho 0.3190752E+03 3,-3 19 3 -3 -2.982450 1.213722 -1.091915 Rho 0.3191782E+03 3,-3 20 3 -3 3.035738 1.169774 1.153205 Rho 0.3190446E+03 3,-3 21 3 -3 1.165534 -1.140785 -3.041352 Rho 0.3190502E+03 3,-3 22 3 -3 1.206137 1.195732 3.072693 Rho 0.3190452E+03 3,-3 23 3 -3 -1.183735 1.182875 -2.969842 Rho 0.3190196E+03 3,-3 24 3 -3 -1.201071 -1.155744 3.094047 Rho 0.3190889E+03 3,-3 25 3 -3 -1.116066 3.061270 -1.137042 Rho 0.3191265E+03 3,-3 26 3 -3 -1.126595 -3.000480 1.179446 Rho 0.3190314E+03 3,-3 27 3 -3 1.170785 3.007278 1.209271 Rho 0.3190452E+03 3,-3 28 3 -3 1.184250 -3.033576 -1.160928 Rho 0.3190770E+03 3,-3 29 3 -3 3.405748 -1.499296 1.456473 Rho 0.3191791E+03 3,-3 30 3 -3 -3.391269 -1.456056 -1.451608 Rho 0.3191403E+03 3,-3 31 3 -3 3.396291 1.501660 -1.495361 Rho 0.3191551E+03 3,-3 32 3 -3 -3.379322 1.571336 1.514128 Rho 0.3191689E+03 3,-3 33 3 -3 1.553735 -1.504503 3.355677 Rho 0.3191240E+03 3,-3 34 3 -3 1.546877 1.486036 -3.442515 Rho 0.3191526E+03 3,-3 35 3 -3 -1.488457 1.468172 3.412305 Rho 0.3191379E+03 3,-3 36 3 -3 -1.517845 -1.516521 -3.433801 Rho 0.3191722E+03 3,-3 37 3 -3 -1.505730 -3.365456 -1.539613 Rho 0.3191426E+03 3,-3 38 3 -3 -1.499112 3.365263 1.497932 Rho 0.3191622E+03 3,-3 39 3 -3 1.512165 -3.361569 1.447038 Rho 0.3192398E+03 3,-3 40 3 -3 1.503887 3.383200 -1.531415 Rho 0.3191399E+03 3,-3 41 3 -3 -0.182560 -3.687256 3.788776 Rho 0.3195941E+03 3,-3 42 3 -3 0.289125 -3.737498 -3.742200 Rho 0.3195932E+03 3,-3 43 3 -3 -0.174520 3.689658 -3.809254 Rho 0.3196026E+03 3,-3 44 3 -3 0.115962 3.750685 3.788050 Rho 0.3196068E+03 3,-3 45 3 -3 3.861667 -3.809832 -0.215356 Rho 0.3188349E+03 3,-3 46 3 -3 3.690328 3.796037 0.203074 Rho 0.3195916E+03 3,-3 47 3 -3 -3.741955 3.884924 -0.249450 Rho 0.3188172E+03 3,-3 48 3 -3 -3.680323 -3.774070 0.194799 Rho 0.3195907E+03 3,-3 49 3 -3 -3.757782 0.175626 -3.707203 Rho 0.3195981E+03 3,-3 50 3 -3 -3.858322 -0.139406 3.683959 Rho 0.3195945E+03 3,-3 51 3 -3 3.791067 0.232749 3.718715 Rho 0.3195973E+03 3,-3 52 3 -3 3.830377 -0.234233 -3.661200 Rho 0.3196044E+03 3,-3 53 3 -3 0.007294 0.010006 -0.024168 Rho 0.2439515E+04 3,-3 54 3 -3 -4.460463 3.762769 -0.910859 Rho 0.4435883E+00 3,-3 55 3 -3 3.809659 -4.703443 0.196538 Rho 0.4423635E+00 3,-3 56 3 -1 -3.151841 3.238869 -0.151928 Rho 0.1643853E+00 |GRAD(Rho)| 0.1669587E-12 GRAD(Rho)x 0.1241531E-12 GRAD(Rho)y -0.1047109E-12 GRAD(Rho)z 0.3868905E-13 Laplacian 0.6183267E+00 (-1/4)Del**2(Rho)) -0.1545817E+00 Diamond 0.1415015E+01 Metallicity 0.5497522E+01 Ellipticity 0.1235931E+00 Gb(Abramov) 0.2446905E+00 Vb(Abramov) -0.3347993E+00 Hb(Abramov) -0.9010879E-01 Ex_ueg -0.6650727E-01 Ec_ueg -0.9370654E-02 Delta_ex -0.6806713E-01 Delta_ec 0.1558717E-01 Delta_et -0.2106753E+00 Pxc 0.7097399E+01 Qxc -0.4366869E+01 3,-1 57 3 +1 -2.096082 -1.308499 -1.057835 Rho 0.2428937E-01 |GRAD(Rho)| 0.3238084E-14 GRAD(Rho)x -0.1254168E-15 GRAD(Rho)y 0.3198703E-14 GRAD(Rho)z -0.4876061E-15 Laplacian 0.9641564E-01 (-1/4)Del**2(Rho)) -0.2410391E-01 Diamond 0.1262510E-01 Metallicity 0.1455993E+01 Ellipticity -0.4169240E+01 Gb(Abramov) 0.2191846E-01 Vb(Abramov) -0.1973301E-01 Hb(Abramov) 0.2185448E-02 Ex_ueg -0.5195253E-02 Ec_ueg -0.1053002E-02 Delta_ex -0.6007643E-02 Delta_ec 0.1738009E-02 Delta_et -0.1520798E-01 Pxc 0.4933755E+01 Qxc -0.3456624E+01 3,+1 58 3 +1 -2.914297 -0.127246 -0.115792 Rho 0.4716424E-02 |GRAD(Rho)| 0.3696577E-15 GRAD(Rho)x 0.7482781E-17 GRAD(Rho)y -0.2718644E-15 GRAD(Rho)z -0.2503609E-15 Laplacian 0.1973394E-01 (-1/4)Del**2(Rho)) -0.4933486E-02 Diamond 0.4133504E-03 Metallicity 0.4631845E+00 Ellipticity -0.2196780E+01 Gb(Abramov) 0.3669843E-02 Vb(Abramov) -0.2406200E-02 Hb(Abramov) 0.1263643E-02 Ex_ueg -0.5841650E-03 Ec_ueg -0.1347299E-03 Delta_ex -0.9580514E-03 Delta_ec 0.5996976E-03 Delta_et -0.3209049E-02 Pxc 0.4335824E+01 Qxc -0.1597557E+01 3,+1 59 3 +1 -1.684154 -0.553673 0.517543 Rho 0.8261345E-02 |GRAD(Rho)| 0.9771056E-17 GRAD(Rho)x -0.1556120E-17 GRAD(Rho)y -0.8119896E-17 GRAD(Rho)z -0.5207620E-17 Laplacian 0.3404874E-01 (-1/4)Del**2(Rho)) -0.8512185E-02 Diamond 0.9439415E-03 Metallicity 0.6832769E+00 Ellipticity -0.1469004E+01 Gb(Abramov) 0.6644153E-02 Vb(Abramov) -0.4776121E-02 Hb(Abramov) 0.1868032E-02 Ex_ueg -0.1233444E-02 Ec_ueg -0.2898533E-03 Delta_ex -0.1578411E-02 Delta_ec 0.5481146E-03 Delta_et -0.3651061E-02 Pxc 0.4255407E+01 Qxc -0.2879711E+01 3,+1 60 3 -1 -2.747107 0.534767 -1.802236 Rho 0.8547765E-01 |GRAD(Rho)| 0.3034516E-12 GRAD(Rho)x 0.2763057E-13 GRAD(Rho)y -0.2031036E-12 GRAD(Rho)z -0.2237596E-12 Laplacian 0.3518376E+00 (-1/4)Del**2(Rho)) -0.8795939E-01 Diamond 0.3646258E+00 Metallicity 0.3248568E+01 Ellipticity 0.1893517E-01 Gb(Abramov) 0.1062633E+00 Vb(Abramov) -0.1245671E+00 Hb(Abramov) -0.1830388E-01 Ex_ueg -0.2780920E-01 Ec_ueg -0.4454089E-02 Delta_ex -0.3312502E-01 Delta_ec 0.1024636E-01 Delta_et -0.1232878E+00 Pxc 0.6243522E+01 Qxc -0.3232858E+01 3,-1 61 3 -1 -2.963924 -0.866433 -1.972369 Rho 0.1504799E+00 |GRAD(Rho)| 0.4194497E-15 GRAD(Rho)x -0.1396994E-15 GRAD(Rho)y -0.3908142E-15 GRAD(Rho)z 0.6071532E-16 Laplacian 0.5881164E+00 (-1/4)Del**2(Rho)) -0.1470291E+00 Diamond 0.1189167E+01 Metallicity 0.4988242E+01 Ellipticity 0.5643796E-01 Gb(Abramov) 0.2202555E+00 Vb(Abramov) -0.2934820E+00 Hb(Abramov) -0.7322644E-01 Ex_ueg -0.5911394E-01 Ec_ueg -0.8474245E-02 Delta_ex -0.6313605E-01 Delta_ec 0.1478194E-01 Delta_et -0.1965672E+00 Pxc 0.6975718E+01 Qxc -0.4271162E+01 3,-1 62 3 +3 -2.368274 -0.065801 -0.055711 Rho 0.4222184E-02 |GRAD(Rho)| 0.8845775E-16 GRAD(Rho)x 0.7241198E-16 GRAD(Rho)y -0.3784575E-16 GRAD(Rho)z -0.3389657E-16 Laplacian 0.1775741E-01 (-1/4)Del**2(Rho)) -0.4439352E-02 Diamond 0.1561367E-03 Metallicity 0.4280182E+00 Ellipticity -0.4260115E+00 Gb(Abramov) 0.3276255E-02 Vb(Abramov) -0.2113158E-02 Hb(Abramov) 0.1163097E-02 Ex_ueg -0.5040047E-03 Ec_ueg -0.1135953E-03 Delta_ex -0.6526937E-03 Delta_ec 0.1981377E-03 Delta_et -0.1170863E-02 Pxc 0.4436844E+01 Qxc -0.3294142E+01 3,+3 63 3 -1 -2.822400 -0.554550 1.802733 Rho 0.1534913E+00 |GRAD(Rho)| 0.3683719E-11 GRAD(Rho)x 0.5752099E-12 GRAD(Rho)y 0.2582715E-11 GRAD(Rho)z 0.2562909E-11 Laplacian 0.6400683E+00 (-1/4)Del**2(Rho)) -0.1600171E+00 Diamond 0.1311592E+01 Metallicity 0.4737250E+01 Ellipticity 0.3024229E-01 Gb(Abramov) 0.2330182E+00 Vb(Abramov) -0.3060193E+00 Hb(Abramov) -0.7300112E-01 Ex_ueg -0.6069645E-01 Ec_ueg -0.8667379E-02 Delta_ex -0.6891668E-01 Delta_ec 0.1577027E-01 Delta_et -0.2096980E+00 Pxc 0.7002861E+01 Qxc -0.4370038E+01 3,-1 64 3 +1 -1.014041 2.102827 1.353200 Rho 0.2474727E-01 |GRAD(Rho)| 0.3840139E-16 GRAD(Rho)x 0.1425874E-16 GRAD(Rho)y 0.3301783E-16 GRAD(Rho)z 0.1346023E-16 Laplacian 0.9978074E-01 (-1/4)Del**2(Rho)) -0.2494518E-01 Diamond 0.1278131E-01 Metallicity 0.1451372E+01 Ellipticity -0.3117891E+01 Gb(Abramov) 0.2266425E-01 Vb(Abramov) -0.2038331E-01 Hb(Abramov) 0.2280938E-02 Ex_ueg -0.5326250E-02 Ec_ueg -0.1075998E-02 Delta_ex -0.6179360E-02 Delta_ec 0.1675976E-02 Delta_et -0.1476153E-01 Pxc 0.4950055E+01 Qxc -0.3687021E+01 3,+1 65 3 +1 -2.006327 2.014033 2.037299 Rho 0.1233674E-01 |GRAD(Rho)| 0.2361721E-16 GRAD(Rho)x -0.1426186E-16 GRAD(Rho)y -0.1672723E-16 GRAD(Rho)z 0.8635491E-17 Laplacian 0.5844814E-01 (-1/4)Del**2(Rho)) -0.1461204E-01 Diamond 0.2098292E-02 Metallicity 0.7765627E+00 Ellipticity -0.1190344E+01 Gb(Abramov) 0.1163255E-01 Vb(Abramov) -0.8653065E-02 Hb(Abramov) 0.2979485E-02 Ex_ueg -0.2105324E-02 Ec_ueg -0.4751364E-03 Delta_ex -0.2800937E-02 Delta_ec 0.5923992E-03 Delta_et -0.4597986E-02 Pxc 0.4430989E+01 Qxc -0.4728124E+01 3,+1 66 3 +1 -2.120066 1.113306 1.266128 Rho 0.2392065E-01 |GRAD(Rho)| 0.1097202E-16 GRAD(Rho)x 0.1626051E-17 GRAD(Rho)y -0.7289904E-17 GRAD(Rho)z 0.8037323E-17 Laplacian 0.9575938E-01 (-1/4)Del**2(Rho)) -0.2393984E-01 Diamond 0.1280544E-01 Metallicity 0.1429070E+01 Ellipticity -0.5345298E+01 Gb(Abramov) 0.2166185E-01 Vb(Abramov) -0.1938385E-01 Hb(Abramov) 0.2277997E-02 Ex_ueg -0.5090366E-02 Ec_ueg -0.1034525E-02 Delta_ex -0.6003435E-02 Delta_ec 0.1834594E-02 Delta_et -0.1596483E-01 Pxc 0.4920484E+01 Qxc -0.3272351E+01 3,+1 67 3 +1 -1.726640 1.786316 -1.726279 Rho 0.1212948E-01 |GRAD(Rho)| 0.1105698E-16 GRAD(Rho)x 0.3203732E-17 GRAD(Rho)y 0.7843455E-17 GRAD(Rho)z 0.7104452E-17 Laplacian 0.6032363E-01 (-1/4)Del**2(Rho)) -0.1508091E-01 Diamond 0.2508941E-02 Metallicity 0.7314689E+00 Ellipticity -0.1296598E+01 Gb(Abramov) 0.1189247E-01 Vb(Abramov) -0.8704040E-02 Hb(Abramov) 0.3188433E-02 Ex_ueg -0.2058296E-02 Ec_ueg -0.4655494E-03 Delta_ex -0.2989512E-02 Delta_ec 0.8114424E-03 Delta_et -0.6078718E-02 Pxc 0.4421219E+01 Qxc -0.3684195E+01 3,+1 68 3 -1 -1.740129 2.806002 -0.603525 Rho 0.1734579E+00 |GRAD(Rho)| 0.5669987E-15 GRAD(Rho)x 0.2165152E-15 GRAD(Rho)y -0.1064822E-15 GRAD(Rho)z -0.5130987E-15 Laplacian 0.7133756E+00 (-1/4)Del**2(Rho)) -0.1783439E+00 Diamond 0.1684785E+01 Metallicity 0.5211368E+01 Ellipticity 0.1775955E-01 Gb(Abramov) 0.2737986E+00 Vb(Abramov) -0.3692532E+00 Hb(Abramov) -0.9545466E-01 Ex_ueg -0.7144589E-01 Ec_ueg -0.9961707E-02 Delta_ex -0.7912321E-01 Delta_ec 0.1690944E-01 Delta_et -0.2277433E+00 Pxc 0.7172053E+01 Qxc -0.4679233E+01 3,-1 69 3 +3 0.047856 2.365173 -0.012890 Rho 0.4360563E-02 |GRAD(Rho)| 0.1538956E-16 GRAD(Rho)x -0.8988681E-17 GRAD(Rho)y -0.1078505E-16 GRAD(Rho)z 0.6302764E-17 Laplacian 0.1826617E-01 (-1/4)Del**2(Rho)) -0.4566543E-02 Diamond 0.1616861E-03 Metallicity 0.4390728E+00 Ellipticity -0.3663501E+00 Gb(Abramov) 0.3378536E-02 Vb(Abramov) -0.2190529E-02 Hb(Abramov) 0.1188007E-02 Ex_ueg -0.5261486E-03 Ec_ueg -0.1194998E-03 Delta_ex -0.6699658E-03 Delta_ec 0.1916952E-03 Delta_et -0.1156122E-02 Pxc 0.4402923E+01 Qxc -0.3494953E+01 3,+3 70 3 +3 0.010159 0.013451 -2.378341 Rho 0.4469870E-02 |GRAD(Rho)| 0.5937473E-17 GRAD(Rho)x -0.5310552E-17 GRAD(Rho)y 0.9568686E-18 GRAD(Rho)z -0.2477100E-17 Laplacian 0.1837370E-01 (-1/4)Del**2(Rho)) -0.4593425E-02 Diamond 0.1736590E-03 Metallicity 0.4548917E+00 Ellipticity -0.3358678E+00 Gb(Abramov) 0.3410535E-02 Vb(Abramov) -0.2227645E-02 Hb(Abramov) 0.1182890E-02 Ex_ueg -0.5438072E-03 Ec_ueg -0.1241710E-03 Delta_ex -0.6839901E-03 Delta_ec 0.2033583E-03 Delta_et -0.1221150E-02 Pxc 0.4379503E+01 Qxc -0.3363472E+01 3,+3 71 3 +1 0.170458 2.937347 -0.123108 Rho 0.4991715E-02 |GRAD(Rho)| 0.1061344E-16 GRAD(Rho)x 0.5696983E-17 GRAD(Rho)y -0.4227701E-18 GRAD(Rho)z 0.8944879E-17 Laplacian 0.2081899E-01 (-1/4)Del**2(Rho)) -0.5204749E-02 Diamond 0.4962602E-03 Metallicity 0.4825804E+00 Ellipticity -0.3041901E+01 Gb(Abramov) 0.3888451E-02 Vb(Abramov) -0.2572153E-02 Hb(Abramov) 0.1316298E-02 Ex_ueg -0.6300641E-03 Ec_ueg -0.1465563E-03 Delta_ex -0.1045788E-02 Delta_ec 0.6752484E-03 Delta_et -0.3657384E-02 Pxc 0.4299128E+01 Qxc -0.1548745E+01 3,+1 72 3 -1 0.540599 2.769762 1.868587 Rho 0.1170356E+00 |GRAD(Rho)| 0.2461117E-15 GRAD(Rho)x 0.3428112E-16 GRAD(Rho)y 0.8829471E-17 GRAD(Rho)z -0.2435525E-15 Laplacian 0.4903293E+00 (-1/4)Del**2(Rho)) -0.1225823E+00 Diamond 0.7339851E+00 Metallicity 0.3935397E+01 Ellipticity 0.1041147E-01 Gb(Abramov) 0.1621232E+00 Vb(Abramov) -0.2016641E+00 Hb(Abramov) -0.3954090E-01 Ex_ueg -0.4228071E-01 Ec_ueg -0.6368092E-02 Delta_ex -0.4954296E-01 Delta_ec 0.1311882E-01 Delta_et -0.1677421E+00 Pxc 0.6639462E+01 Qxc -0.3776481E+01 3,-1 73 3 +1 -0.532355 0.541435 -1.685181 Rho 0.8984954E-02 |GRAD(Rho)| 0.1090718E-15 GRAD(Rho)x 0.9378099E-16 GRAD(Rho)y 0.4434939E-16 GRAD(Rho)z 0.3368862E-16 Laplacian 0.3765776E-01 (-1/4)Del**2(Rho)) -0.9414440E-02 Diamond 0.1162348E-02 Metallicity 0.7105890E+00 Ellipticity -0.1477059E+01 Gb(Abramov) 0.7391259E-02 Vb(Abramov) -0.5368079E-02 Hb(Abramov) 0.2023180E-02 Ex_ueg -0.1379557E-02 Ec_ueg -0.3222368E-03 Delta_ex -0.1778919E-02 Delta_ec 0.6001637E-03 Delta_et -0.4092185E-02 Pxc 0.4281190E+01 Qxc -0.2964056E+01 3,+1 74 3 +3 -1.823716 -1.840530 -1.861670 Rho 0.1188026E-01 |GRAD(Rho)| 0.9121041E-17 GRAD(Rho)x -0.8143127E-18 GRAD(Rho)y 0.8234849E-17 GRAD(Rho)z 0.3836345E-17 Laplacian 0.5293857E-01 (-1/4)Del**2(Rho)) -0.1323464E-01 Diamond 0.1128847E-02 Metallicity 0.8051634E+00 Ellipticity -0.6257436E+00 Gb(Abramov) 0.1059910E-01 Vb(Abramov) -0.7963565E-02 Hb(Abramov) 0.2635539E-02 Ex_ueg -0.2002102E-02 Ec_ueg -0.4540441E-03 Delta_ex -0.2313133E-02 Delta_ec 0.1833722E-03 Delta_et -0.1760805E-02 Pxc 0.4409488E+01 Qxc -0.1261441E+02 3,+3 75 3 +3 -1.091205 1.123584 -1.128990 Rho 0.5018636E-02 |GRAD(Rho)| 0.4123492E-14 GRAD(Rho)x 0.2426250E-14 GRAD(Rho)y 0.2283673E-14 GRAD(Rho)z 0.2429267E-14 Laplacian 0.2089162E-01 (-1/4)Del**2(Rho)) -0.5222906E-02 Diamond 0.1621974E-03 Metallicity 0.4852331E+00 Ellipticity -0.3824196E+00 Gb(Abramov) 0.3904325E-02 Vb(Abramov) -0.2585744E-02 Hb(Abramov) 0.1318581E-02 Ex_ueg -0.6345989E-03 Ec_ueg -0.1477149E-03 Delta_ex -0.7369129E-03 Delta_ec 0.1176963E-03 Delta_et -0.8582036E-03 Pxc 0.4296107E+01 Qxc -0.6261140E+01 3,+3 76 3 -1 -0.364517 0.377596 0.331399 Rho 0.2001363E+00 |GRAD(Rho)| 0.5028134E-15 GRAD(Rho)x -0.2013425E-15 GRAD(Rho)y 0.2465427E-15 GRAD(Rho)z 0.3892290E-15 Laplacian 0.6930629E+00 (-1/4)Del**2(Rho)) -0.1732657E+00 Diamond 0.2204427E+01 Metallicity 0.6808480E+01 Ellipticity 0.1041435E-01 Gb(Abramov) 0.3121232E+00 Vb(Abramov) -0.4509806E+00 Hb(Abramov) -0.1388575E+00 Ex_ueg -0.8646084E-01 Ec_ueg -0.1172713E-01 Delta_ex -0.8148527E-01 Delta_ec 0.1896051E-01 Delta_et -0.2698150E+00 Pxc 0.7372716E+01 Qxc -0.4297630E+01 3,-1 77 3 +3 1.120398 -1.120352 -1.111654 Rho 0.4888793E-02 |GRAD(Rho)| 0.6888799E-17 GRAD(Rho)x 0.1179647E-17 GRAD(Rho)y -0.2838599E-17 GRAD(Rho)z -0.6164928E-17 Laplacian 0.2017175E-01 (-1/4)Del**2(Rho)) -0.5042938E-02 Diamond 0.1487781E-03 Metallicity 0.4810671E+00 Ellipticity -0.1722588E+00 Gb(Abramov) 0.3766290E-02 Vb(Abramov) -0.2489643E-02 Hb(Abramov) 0.1276647E-02 Ex_ueg -0.6128026E-03 Ec_ueg -0.1421303E-03 Delta_ex -0.7042440E-03 Delta_ec 0.1096749E-03 Delta_et -0.8045970E-03 Pxc 0.4311556E+01 Qxc -0.6421197E+01 3,+3 78 3 +3 -0.040817 0.055715 2.385725 Rho 0.3835556E-02 |GRAD(Rho)| 0.3942124E-17 GRAD(Rho)x -0.1469499E-17 GRAD(Rho)y -0.4386724E-18 GRAD(Rho)z 0.3631595E-17 Laplacian 0.1549402E-01 (-1/4)Del**2(Rho)) -0.3873504E-02 Diamond 0.1121527E-03 Metallicity 0.4179872E+00 Ellipticity -0.2819035E+00 Gb(Abramov) 0.2852182E-02 Vb(Abramov) -0.1830860E-02 Hb(Abramov) 0.1021322E-02 Ex_ueg -0.4434276E-03 Ec_ueg -0.9715141E-04 Delta_ex -0.5463585E-03 Delta_ec 0.1552111E-03 Delta_et -0.9155500E-03 Pxc 0.4564294E+01 Qxc -0.3520099E+01 3,+3 79 3 +1 -0.044364 0.065786 2.968919 Rho 0.4402060E-02 |GRAD(Rho)| 0.5678593E-17 GRAD(Rho)x 0.5715126E-18 GRAD(Rho)y 0.5646043E-17 GRAD(Rho)z 0.2049261E-18 Laplacian 0.1789009E-01 (-1/4)Del**2(Rho)) -0.4472523E-02 Diamond 0.3820076E-03 Metallicity 0.4554359E+00 Ellipticity -0.4115823E+01 Gb(Abramov) 0.3321173E-02 Vb(Abramov) -0.2169823E-02 Hb(Abramov) 0.1151350E-02 Ex_ueg -0.5328353E-03 Ec_ueg -0.1212724E-03 Delta_ex -0.9015864E-03 Delta_ec 0.6231417E-03 Delta_et -0.3232553E-02 Pxc 0.4393704E+01 Qxc -0.1446840E+01 3,+1 80 3 +1 -0.491597 1.714952 -0.583071 Rho 0.8694103E-02 |GRAD(Rho)| 0.4985696E-17 GRAD(Rho)x -0.4443070E-17 GRAD(Rho)y -0.9864681E-18 GRAD(Rho)z 0.2035479E-17 Laplacian 0.3646430E-01 (-1/4)Del**2(Rho)) -0.9116074E-02 Diamond 0.1062049E-02 Metallicity 0.6946830E+00 Ellipticity -0.1446323E+01 Gb(Abramov) 0.7132846E-02 Vb(Abramov) -0.5149619E-02 Hb(Abramov) 0.1983228E-02 Ex_ueg -0.1320337E-02 Ec_ueg -0.3091925E-03 Delta_ex -0.1702242E-02 Delta_ec 0.5699107E-03 Delta_et -0.3860237E-02 Pxc 0.4270275E+01 Qxc -0.2986857E+01 3,+1 81 3 +1 -0.581813 -0.510324 1.716911 Rho 0.7468926E-02 |GRAD(Rho)| 0.1978941E-16 GRAD(Rho)x 0.1103119E-16 GRAD(Rho)y 0.2533155E-17 GRAD(Rho)z -0.1623320E-16 Laplacian 0.2997956E-01 (-1/4)Del**2(Rho)) -0.7494890E-02 Diamond 0.7170181E-03 Metallicity 0.6559713E+00 Ellipticity -0.1444663E+01 Gb(Abramov) 0.5815999E-02 Vb(Abramov) -0.4137108E-02 Hb(Abramov) 0.1678891E-02 Ex_ueg -0.1078274E-02 Ec_ueg -0.2546605E-03 Delta_ex -0.1351702E-02 Delta_ec 0.4751372E-03 Delta_et -0.3086391E-02 Pxc 0.4234164E+01 Qxc -0.2844866E+01 3,+1 82 3 +1 -0.137746 -0.117451 -2.882611 Rho 0.4930752E-02 |GRAD(Rho)| 0.2661690E-16 GRAD(Rho)x -0.1350640E-16 GRAD(Rho)y -0.2290532E-16 GRAD(Rho)z -0.1176196E-17 Laplacian 0.2012779E-01 (-1/4)Del**2(Rho)) -0.5031948E-02 Diamond 0.4676878E-03 Metallicity 0.4890340E+00 Ellipticity -0.3602494E+01 Gb(Abramov) 0.3764764E-02 Vb(Abramov) -0.2497580E-02 Hb(Abramov) 0.1267184E-02 Ex_ueg -0.6198253E-03 Ec_ueg -0.1439340E-03 Delta_ex -0.1004692E-02 Delta_ec 0.6456717E-03 Delta_et -0.3487078E-02 Pxc 0.4306316E+01 Qxc -0.1556041E+01 3,+1 83 3 -1 -0.524475 1.700133 1.702300 Rho 0.3445289E-01 |GRAD(Rho)| 0.7627015E-17 GRAD(Rho)x 0.3958661E-17 GRAD(Rho)y -0.2167981E-17 GRAD(Rho)z -0.6148189E-17 Laplacian 0.1410317E+00 (-1/4)Del**2(Rho)) -0.3525793E-01 Diamond 0.4402411E-01 Metallicity 0.1782403E+01 Ellipticity 0.1565902E-01 Gb(Abramov) 0.3397926E-01 Vb(Abramov) -0.3270059E-01 Hb(Abramov) 0.1278671E-02 Ex_ueg -0.8279790E-02 Ec_ueg -0.1575498E-02 Delta_ex -0.1064944E-01 Delta_ec 0.4331004E-02 Delta_et -0.4133223E-01 Pxc 0.5255349E+01 Qxc -0.2458884E+01 3,-1 84 3 -1 -0.549809 1.791830 -2.798662 Rho 0.1452407E+00 |GRAD(Rho)| 0.9054895E-14 GRAD(Rho)x 0.5981923E-14 GRAD(Rho)y 0.6788474E-14 GRAD(Rho)z 0.3526232E-15 Laplacian 0.6124152E+00 (-1/4)Del**2(Rho)) -0.1531038E+00 Diamond 0.1177244E+01 Metallicity 0.4515590E+01 Ellipticity 0.2180805E-01 Gb(Abramov) 0.2172949E+00 Vb(Abramov) -0.2814860E+00 Hb(Abramov) -0.6419108E-01 Ex_ueg -0.5638578E-01 Ec_ueg -0.8139551E-02 Delta_ex -0.6507617E-01 Delta_ec 0.1535324E-01 Delta_et -0.2027681E+00 Pxc 0.6927382E+01 Qxc -0.4238596E+01 3,-1 85 3 +1 0.560397 -0.521292 -1.708719 Rho 0.8784293E-02 |GRAD(Rho)| 0.2056759E-15 GRAD(Rho)x -0.1703221E-15 GRAD(Rho)y -0.4728700E-16 GRAD(Rho)z 0.1051519E-15 Laplacian 0.3652436E-01 (-1/4)Del**2(Rho)) -0.9131090E-02 Diamond 0.1071845E-02 Metallicity 0.7055729E+00 Ellipticity -0.1453409E+01 Gb(Abramov) 0.7161169E-02 Vb(Abramov) -0.5191247E-02 Hb(Abramov) 0.1969922E-02 Ex_ueg -0.1338631E-02 Ec_ueg -0.3132334E-03 Delta_ex -0.1706362E-02 Delta_ec 0.5653725E-03 Delta_et -0.3843912E-02 Pxc 0.4273589E+01 Qxc -0.3018119E+01 3,+1 86 3 -1 -1.645223 -1.715960 -0.504023 Rho 0.3744352E-01 |GRAD(Rho)| 0.7589892E-13 GRAD(Rho)x -0.6780249E-13 GRAD(Rho)y -0.3408253E-13 GRAD(Rho)z -0.1359637E-14 Laplacian 0.1545367E+00 (-1/4)Del**2(Rho)) -0.3863418E-01 Diamond 0.5409870E-01 Metallicity 0.1868713E+01 Ellipticity 0.1284298E-01 Gb(Abramov) 0.3778882E-01 Vb(Abramov) -0.3694346E-01 Hb(Abramov) 0.8453597E-03 Ex_ueg -0.9251681E-02 Ec_ueg -0.1733569E-02 Delta_ex -0.1191387E-01 Delta_ec 0.4752588E-02 Delta_et -0.4640553E-01 Pxc 0.5336781E+01 Qxc -0.2506817E+01 3,-1 87 3 -1 0.369869 -0.349563 0.348514 Rho 0.2003384E+00 |GRAD(Rho)| 0.5812720E-13 GRAD(Rho)x 0.2372673E-13 GRAD(Rho)y -0.4165185E-13 GRAD(Rho)z -0.3287760E-13 Laplacian 0.6939054E+00 (-1/4)Del**2(Rho)) -0.1734763E+00 Diamond 0.2211113E+01 Metallicity 0.6811663E+01 Ellipticity 0.6526125E-02 Gb(Abramov) 0.3125946E+00 Vb(Abramov) -0.4517129E+00 Hb(Abramov) -0.1391183E+00 Ex_ueg -0.8657728E-01 Ec_ueg -0.1174066E-01 Delta_ex -0.8161374E-01 Delta_ec 0.1899475E-01 Delta_et -0.2703851E+00 Pxc 0.7374139E+01 Qxc -0.4296646E+01 3,-1 88 3 +1 2.900556 0.070380 -0.093596 Rho 0.4659431E-02 |GRAD(Rho)| 0.3322716E-17 GRAD(Rho)x -0.2943078E-19 GRAD(Rho)y -0.3180654E-17 GRAD(Rho)z 0.9607393E-18 Laplacian 0.1930058E-01 (-1/4)Del**2(Rho)) -0.4825145E-02 Diamond 0.4411225E-03 Metallicity 0.4640851E+00 Ellipticity -0.4471551E+01 Gb(Abramov) 0.3589976E-02 Vb(Abramov) -0.2354808E-02 Hb(Abramov) 0.1235169E-02 Ex_ueg -0.5747720E-03 Ec_ueg -0.1322863E-03 Delta_ex -0.9790869E-03 Delta_ec 0.6655786E-03 Delta_et -0.3515281E-02 Pxc 0.4344909E+01 Qxc -0.1471031E+01 3,+1 89 3 +1 0.098991 0.115536 -2.889616 Rho 0.4944832E-02 |GRAD(Rho)| 0.1954552E-15 GRAD(Rho)x -0.1925109E-15 GRAD(Rho)y 0.1801539E-16 GRAD(Rho)z -0.2859634E-16 Laplacian 0.2010354E-01 (-1/4)Del**2(Rho)) -0.5025886E-02 Diamond 0.4906571E-03 Metallicity 0.4919562E+00 Ellipticity -0.6438296E+01 Gb(Abramov) 0.3762677E-02 Vb(Abramov) -0.2499467E-02 Hb(Abramov) 0.1263209E-02 Ex_ueg -0.6221863E-03 Ec_ueg -0.1445395E-03 Delta_ex -0.1024516E-02 Delta_ec 0.6814716E-03 Delta_et -0.3669048E-02 Pxc 0.4304612E+01 Qxc -0.1503388E+01 3,+1 90 3 +1 0.570464 -1.694099 -0.534693 Rho 0.8353107E-02 |GRAD(Rho)| 0.6112264E-17 GRAD(Rho)x -0.3498908E-18 GRAD(Rho)y 0.5215304E-17 GRAD(Rho)z 0.3168273E-17 Laplacian 0.3471796E-01 (-1/4)Del**2(Rho)) -0.8679490E-02 Diamond 0.9593031E-03 Metallicity 0.6825572E+00 Ellipticity -0.1442477E+01 Gb(Abramov) 0.6773701E-02 Vb(Abramov) -0.4867913E-02 Hb(Abramov) 0.1905789E-02 Ex_ueg -0.1251745E-02 Ec_ueg -0.2939470E-03 Delta_ex -0.1605500E-02 Delta_ec 0.5440371E-03 Delta_et -0.3645211E-02 Pxc 0.4258403E+01 Qxc -0.2951085E+01 3,+1 91 3 +1 0.547205 1.696708 0.536290 Rho 0.8404363E-02 |GRAD(Rho)| 0.2577600E-12 GRAD(Rho)x 0.1891514E-12 GRAD(Rho)y 0.1733977E-12 GRAD(Rho)z 0.2439605E-13 Laplacian 0.3461592E-01 (-1/4)Del**2(Rho)) -0.8653980E-02 Diamond 0.9764896E-03 Metallicity 0.6915845E+00 Ellipticity -0.1470131E+01 Gb(Abramov) 0.6766813E-02 Vb(Abramov) -0.4879646E-02 Hb(Abramov) 0.1887167E-02 Ex_ueg -0.1261996E-02 Ec_ueg -0.2962353E-03 Delta_ex -0.1608789E-02 Delta_ec 0.5524035E-03 Delta_et -0.3699940E-02 Pxc 0.4260115E+01 Qxc -0.2912345E+01 3,+1 92 3 +3 1.092394 1.115158 1.145709 Rho 0.4717002E-02 |GRAD(Rho)| 0.1106789E-12 GRAD(Rho)x 0.7574303E-13 GRAD(Rho)y 0.7914771E-13 GRAD(Rho)z -0.1576226E-13 Laplacian 0.1898088E-01 (-1/4)Del**2(Rho)) -0.4745221E-02 Diamond 0.1324660E-03 Metallicity 0.4816596E+00 Ellipticity -0.1990896E+00 Gb(Abramov) 0.3544411E-02 Vb(Abramov) -0.2343601E-02 Hb(Abramov) 0.1200810E-02 Ex_ueg -0.5842605E-03 Ec_ueg -0.1347546E-03 Delta_ex -0.6553891E-03 Delta_ec 0.1016714E-03 Delta_et -0.7443231E-03 Pxc 0.4335735E+01 Qxc -0.6446152E+01 3,+3 93 3 -1 0.373727 0.371878 -0.386415 Rho 0.2032630E+00 |GRAD(Rho)| 0.1728959E-13 GRAD(Rho)x -0.1000018E-13 GRAD(Rho)y -0.9985499E-14 GRAD(Rho)z 0.9960735E-14 Laplacian 0.7334948E+00 (-1/4)Del**2(Rho)) -0.1833737E+00 Diamond 0.2374170E+01 Metallicity 0.6601563E+01 Ellipticity 0.2190310E-02 Gb(Abramov) 0.3240080E+00 Vb(Abramov) -0.4646422E+00 Hb(Abramov) -0.1406343E+00 Ex_ueg -0.8826657E-01 Ec_ueg -0.1193668E-01 Delta_ex -0.8655339E-01 Delta_ec 0.1995535E-01 Delta_et -0.2844378E+00 Pxc 0.7394569E+01 Qxc -0.4337353E+01 3,-1 94 3 +1 0.530658 0.596486 1.707380 Rho 0.7601914E-02 |GRAD(Rho)| 0.3009699E-13 GRAD(Rho)x 0.8837524E-14 GRAD(Rho)y -0.2592451E-13 GRAD(Rho)z -0.1247586E-13 Laplacian 0.3059744E-01 (-1/4)Del**2(Rho)) -0.7649361E-02 Diamond 0.7452732E-03 Metallicity 0.6619111E+00 Ellipticity -0.1442437E+01 Gb(Abramov) 0.5943440E-02 Vb(Abramov) -0.4237519E-02 Hb(Abramov) 0.1705921E-02 Ex_ueg -0.1103949E-02 Ec_ueg -0.2605467E-03 Delta_ex -0.1383256E-02 Delta_ec 0.4808737E-03 Delta_et -0.3141418E-02 Pxc 0.4237048E+01 Qxc -0.2876547E+01 3,+1 95 3 -1 -1.666854 -0.541062 -1.719405 Rho 0.3957307E-01 |GRAD(Rho)| 0.5780034E-16 GRAD(Rho)x 0.3523255E-16 GRAD(Rho)y -0.1378721E-16 GRAD(Rho)z 0.4369737E-16 Laplacian 0.1646074E+00 (-1/4)Del**2(Rho)) -0.4115186E-01 Diamond 0.6241787E-01 Metallicity 0.1923815E+01 Ellipticity 0.1963172E-01 Gb(Abramov) 0.4062933E-01 Vb(Abramov) -0.4010680E-01 Hb(Abramov) 0.5225289E-03 Ex_ueg -0.9959816E-02 Ec_ueg -0.1847187E-02 Delta_ex -0.1288101E-01 Delta_ec 0.5091563E-02 Delta_et -0.5047433E-01 Pxc 0.5391884E+01 Qxc -0.2529873E+01 3,-1 96 3 +1 0.111811 -2.921318 0.089472 Rho 0.4959251E-02 |GRAD(Rho)| 0.2501424E-16 GRAD(Rho)x -0.1480154E-16 GRAD(Rho)y 0.2254688E-18 GRAD(Rho)z 0.2016373E-16 Laplacian 0.2042084E-01 (-1/4)Del**2(Rho)) -0.5105211E-02 Diamond 0.5116554E-03 Metallicity 0.4866682E+00 Ellipticity -0.6245445E+01 Gb(Abramov) 0.3817564E-02 Vb(Abramov) -0.2529918E-02 Hb(Abramov) 0.1287646E-02 Ex_ueg -0.6246065E-03 Ec_ueg -0.1451596E-03 Delta_ex -0.1051863E-02 Delta_ec 0.7111677E-03 Delta_et -0.3825187E-02 Pxc 0.4302894E+01 Qxc -0.1479065E+01 3,+1 97 3 -1 0.807951 -2.907442 2.010690 Rho 0.8704211E-01 |GRAD(Rho)| 0.1121108E-15 GRAD(Rho)x 0.4656310E-16 GRAD(Rho)y -0.1871773E-16 GRAD(Rho)z -0.1002514E-15 Laplacian 0.3514816E+00 (-1/4)Del**2(Rho)) -0.8787040E-01 Diamond 0.3713158E+00 Metallicity 0.3351657E+01 Ellipticity 0.2590858E-01 Gb(Abramov) 0.1076655E+00 Vb(Abramov) -0.1274606E+00 Hb(Abramov) -0.1979511E-01 Ex_ueg -0.2848990E-01 Ec_ueg -0.4547041E-02 Delta_ex -0.3320738E-01 Delta_ec 0.1015950E-01 Delta_et -0.1226890E+00 Pxc 0.6265591E+01 Qxc -0.3268604E+01 3,-1 98 3 +1 -1.022244 -2.112859 -1.344808 Rho 0.2443850E-01 |GRAD(Rho)| 0.7001976E-16 GRAD(Rho)x 0.1254632E-16 GRAD(Rho)y -0.4123134E-16 GRAD(Rho)z -0.5518454E-16 Laplacian 0.9734622E-01 (-1/4)Del**2(Rho)) -0.2433656E-01 Diamond 0.1302498E-01 Metallicity 0.1456861E+01 Ellipticity -0.4483053E+01 Gb(Abramov) 0.2213353E-01 Vb(Abramov) -0.1993051E-01 Hb(Abramov) 0.2203021E-02 Ex_ueg -0.5237826E-02 Ec_ueg -0.1060485E-02 Delta_ex -0.6094508E-02 Delta_ec 0.1788827E-02 Delta_et -0.1566873E-01 Pxc 0.4939085E+01 Qxc -0.3406987E+01 3,+1 99 3 -1 0.633482 -2.785967 -1.809920 Rho 0.1529488E+00 |GRAD(Rho)| 0.5681754E-13 GRAD(Rho)x 0.5866117E-14 GRAD(Rho)y 0.2741954E-13 GRAD(Rho)z 0.4941650E-13 Laplacian 0.6380634E+00 (-1/4)Del**2(Rho)) -0.1595159E+00 Diamond 0.1310122E+01 Metallicity 0.4724174E+01 Ellipticity 0.4063903E-01 Gb(Abramov) 0.2319407E+00 Vb(Abramov) -0.3043655E+00 Hb(Abramov) -0.7242482E-01 Ex_ueg -0.6041057E-01 Ec_ueg -0.8632543E-02 Delta_ex -0.6872005E-01 Delta_ec 0.1587681E-01 Delta_et -0.2113626E+00 Pxc 0.6998004E+01 Qxc -0.4328329E+01 3,-1 100 3 +3 0.036367 -2.347896 0.005447 Rho 0.4327107E-02 |GRAD(Rho)| 0.7799815E-14 GRAD(Rho)x -0.3187251E-14 GRAD(Rho)y 0.5890250E-14 GRAD(Rho)z -0.3997937E-14 Laplacian 0.1798164E-01 (-1/4)Del**2(Rho)) -0.4495410E-02 Diamond 0.1573699E-03 Metallicity 0.4403317E+00 Ellipticity -0.3590011E+00 Gb(Abramov) 0.3326852E-02 Vb(Abramov) -0.2158294E-02 Hb(Abramov) 0.1168558E-02 Ex_ueg -0.5207731E-03 Ec_ueg -0.1180714E-03 Delta_ex -0.6581004E-03 Delta_ec 0.1884167E-03 Delta_et -0.1134523E-02 Pxc 0.4410663E+01 Qxc -0.3492791E+01 3,+3 101 3 +1 -0.105903 -2.905470 -0.129325 Rho 0.4949750E-02 |GRAD(Rho)| 0.7384614E-15 GRAD(Rho)x -0.5561501E-15 GRAD(Rho)y 0.1792567E-18 GRAD(Rho)z -0.4858212E-15 Laplacian 0.2049516E-01 (-1/4)Del**2(Rho)) -0.5123790E-02 Diamond 0.4972863E-03 Metallicity 0.4833563E+00 Ellipticity -0.4090669E+01 Gb(Abramov) 0.3828629E-02 Vb(Abramov) -0.2533469E-02 Hb(Abramov) 0.1295161E-02 Ex_ueg -0.6230116E-03 Ec_ueg -0.1447510E-03 Delta_ex -0.1041283E-02 Delta_ec 0.6887018E-03 Delta_et -0.3711364E-02 Pxc 0.4304023E+01 Qxc -0.1511950E+01 3,+1 102 3 +1 1.745459 -1.765188 -1.777089 Rho 0.1225927E-01 |GRAD(Rho)| 0.1179744E-16 GRAD(Rho)x -0.1007276E-16 GRAD(Rho)y -0.1962430E-17 GRAD(Rho)z 0.5819629E-17 Laplacian 0.6117724E-01 (-1/4)Del**2(Rho)) -0.1529431E-01 Diamond 0.2534593E-02 Metallicity 0.7341712E+00 Ellipticity -0.1272635E+01 Gb(Abramov) 0.1206765E-01 Vb(Abramov) -0.8840984E-02 Hb(Abramov) 0.3226663E-02 Ex_ueg -0.2087714E-02 Ec_ueg -0.4715508E-03 Delta_ex -0.3027034E-02 Delta_ec 0.7992322E-03 Delta_et -0.6020377E-02 Pxc 0.4427336E+01 Qxc -0.3787428E+01 3,+1 103 3 +1 0.964595 -2.092817 1.421661 Rho 0.2262325E-01 |GRAD(Rho)| 0.2840608E-16 GRAD(Rho)x -0.5318258E-17 GRAD(Rho)y 0.2686183E-16 GRAD(Rho)z 0.7554032E-17 Laplacian 0.8934539E-01 (-1/4)Del**2(Rho)) -0.2233635E-01 Diamond 0.8825354E-02 Metallicity 0.1395724E+01 Ellipticity -0.2081127E+01 Gb(Abramov) 0.2008679E-01 Vb(Abramov) -0.1783724E-01 Hb(Abramov) 0.2249554E-02 Ex_ueg -0.4725617E-02 Ec_ueg -0.9698096E-03 Delta_ex -0.5242318E-02 Delta_ec 0.1215008E-02 Delta_et -0.1055421E-01 Pxc 0.4872726E+01 Qxc -0.4314637E+01 3,+1 104 3 -1 1.983092 -2.961723 0.862530 Rho 0.1845221E+00 |GRAD(Rho)| 0.4666560E-14 GRAD(Rho)x 0.3174083E-14 GRAD(Rho)y 0.7224717E-15 GRAD(Rho)z -0.3343652E-14 Laplacian 0.7220968E+00 (-1/4)Del**2(Rho)) -0.1805242E+00 Diamond 0.1868239E+01 Metallicity 0.5707314E+01 Ellipticity 0.5474965E-01 Gb(Abramov) 0.2920675E+00 Vb(Abramov) -0.4036108E+00 Hb(Abramov) -0.1115433E+00 Ex_ueg -0.7758593E-01 Ec_ueg -0.1068896E-01 Delta_ex -0.8159011E-01 Delta_ec 0.1725955E-01 Delta_et -0.2352003E+00 Pxc 0.7258508E+01 Qxc -0.4727244E+01 3,-1 105 3 -1 2.761308 1.844730 0.569039 Rho 0.1218456E+00 |GRAD(Rho)| 0.2168480E-14 GRAD(Rho)x -0.1918174E-14 GRAD(Rho)y 0.1011384E-14 GRAD(Rho)z 0.4208060E-17 Laplacian 0.5053266E+00 (-1/4)Del**2(Rho)) -0.1263317E+00 Diamond 0.7942083E+00 Metallicity 0.4083734E+01 Ellipticity 0.8209509E-02 Gb(Abramov) 0.1702053E+00 Vb(Abramov) -0.2140789E+00 Hb(Abramov) -0.4387360E-01 Ex_ueg -0.4461336E-01 Ec_ueg -0.6666421E-02 Delta_ex -0.5155457E-01 Delta_ec 0.1339883E-01 Delta_et -0.1725343E+00 Pxc 0.6692251E+01 Qxc -0.3847693E+01 3,-1 106 3 -1 2.947881 2.012462 -0.820166 Rho 0.1130572E+00 |GRAD(Rho)| 0.8289303E-14 GRAD(Rho)x -0.6516641E-14 GRAD(Rho)y -0.4872513E-14 GRAD(Rho)z -0.1582576E-14 Laplacian 0.4428247E+00 (-1/4)Del**2(Rho)) -0.1107062E+00 Diamond 0.6396401E+00 Metallicity 0.4113501E+01 Ellipticity 0.1412723E-01 Gb(Abramov) 0.1497024E+00 Vb(Abramov) -0.1886987E+00 Hb(Abramov) -0.3899626E-01 Ex_ueg -0.4037531E-01 Ec_ueg -0.6122581E-02 Delta_ex -0.4443201E-01 Delta_ec 0.1204101E-01 Delta_et -0.1531584E+00 Pxc 0.6594492E+01 Qxc -0.3690056E+01 3,-1 107 3 -1 1.959253 2.996914 -0.848208 Rho 0.1420828E+00 |GRAD(Rho)| 0.1064537E-14 GRAD(Rho)x 0.6411158E-15 GRAD(Rho)y -0.2899021E-15 GRAD(Rho)z 0.7988537E-15 Laplacian 0.5602538E+00 (-1/4)Del**2(Rho)) -0.1400634E+00 Diamond 0.1059099E+01 Metallicity 0.4758437E+01 Ellipticity 0.5145002E-01 Gb(Abramov) 0.2044561E+00 Vb(Abramov) -0.2688488E+00 Hb(Abramov) -0.6439269E-01 Ex_ueg -0.5475710E-01 Ec_ueg -0.7938642E-02 Delta_ex -0.5932225E-01 Delta_ec 0.1431705E-01 Delta_et -0.1889188E+00 Pxc 0.6897540E+01 Qxc -0.4143469E+01 3,-1 108 3 +3 1.864333 1.839302 -1.871539 Rho 0.1174750E-01 |GRAD(Rho)| 0.4877911E-16 GRAD(Rho)x -0.7569550E-17 GRAD(Rho)y -0.3890835E-16 GRAD(Rho)z 0.2842963E-16 Laplacian 0.5278624E-01 (-1/4)Del**2(Rho)) -0.1319656E-01 Diamond 0.1114297E-02 Metallicity 0.7925047E+00 Ellipticity -0.6936277E+00 Gb(Abramov) 0.1054076E-01 Vb(Abramov) -0.7884965E-02 Hb(Abramov) 0.2655797E-02 Ex_ueg -0.1972328E-02 Ec_ueg -0.4479255E-03 Delta_ex -0.2300703E-02 Delta_ec 0.1861928E-03 Delta_et -0.1776622E-02 Pxc 0.4403251E+01 Qxc -0.1235656E+02 3,+3 109 3 +1 2.014760 1.988914 -2.021387 Rho 0.1196901E-01 |GRAD(Rho)| 0.7301599E-17 GRAD(Rho)x -0.5711367E-17 GRAD(Rho)y 0.9138336E-18 GRAD(Rho)z -0.4456292E-17 Laplacian 0.5557759E-01 (-1/4)Del**2(Rho)) -0.1389440E-01 Diamond 0.1833826E-02 Metallicity 0.7765045E+00 Ellipticity -0.1159995E+01 Gb(Abramov) 0.1106111E-01 Vb(Abramov) -0.8227820E-02 Hb(Abramov) 0.2833289E-02 Ex_ueg -0.2022070E-02 Ec_ueg -0.4581387E-03 Delta_ex -0.2618295E-02 Delta_ec 0.5219201E-03 Delta_et -0.4064560E-02 Pxc 0.4413663E+01 Qxc -0.5016659E+01 3,+1 110 3 -1 -1.754898 0.522761 1.646126 Rho 0.3337773E-01 |GRAD(Rho)| 0.7844013E-16 GRAD(Rho)x -0.5107365E-16 GRAD(Rho)y -0.1401951E-16 GRAD(Rho)z 0.5786008E-16 Laplacian 0.1363870E+00 (-1/4)Del**2(Rho)) -0.3409675E-01 Diamond 0.4085258E-01 Metallicity 0.1748242E+01 Ellipticity 0.7767501E-02 Gb(Abramov) 0.3266606E-01 Vb(Abramov) -0.3123537E-01 Hb(Abramov) 0.1430689E-02 Ex_ueg -0.7937080E-02 Ec_ueg -0.1519114E-02 Delta_ex -0.1022514E-01 Delta_ec 0.4198835E-02 Delta_et -0.3972124E-01 Pxc 0.5224807E+01 Qxc -0.2435232E+01 3,-1 111 3 -1 -1.951648 -2.983099 -0.863595 Rho 0.1505715E+00 |GRAD(Rho)| 0.5901213E-13 GRAD(Rho)x -0.3386977E-13 GRAD(Rho)y 0.1907381E-13 GRAD(Rho)z 0.4440113E-13 Laplacian 0.5939449E+00 (-1/4)Del**2(Rho)) -0.1484862E+00 Diamond 0.1201373E+01 Metallicity 0.4944304E+01 Ellipticity 0.5771343E-01 Gb(Abramov) 0.2213510E+00 Vb(Abramov) -0.2942157E+00 Hb(Abramov) -0.7286476E-01 Ex_ueg -0.5916191E-01 Ec_ueg -0.8480111E-02 Delta_ex -0.6376678E-01 Delta_ec 0.1491808E-01 Delta_et -0.1983752E+00 Pxc 0.6976550E+01 Qxc -0.4274463E+01 3,-1 112 3 -1 -1.760874 -2.789291 0.577888 Rho 0.1426394E+00 |GRAD(Rho)| 0.3346103E-12 GRAD(Rho)x -0.2425747E-12 GRAD(Rho)y 0.2347027E-13 GRAD(Rho)z -0.2292831E-12 Laplacian 0.5943650E+00 (-1/4)Del**2(Rho)) -0.1485913E+00 Diamond 0.1121717E+01 Metallicity 0.4514667E+01 Ellipticity 0.2161163E-01 Gb(Abramov) 0.2108675E+00 Vb(Abramov) -0.2731437E+00 Hb(Abramov) -0.6227625E-01 Ex_ueg -0.5504328E-01 Ec_ueg -0.7974006E-02 Delta_ex -0.6291805E-01 Delta_ec 0.1503810E-01 Delta_et -0.1982537E+00 Pxc 0.6902839E+01 Qxc -0.4183910E+01 3,-1 113 3 +1 -1.995774 -1.991757 -2.014285 Rho 0.1214735E-01 |GRAD(Rho)| 0.1844731E-12 GRAD(Rho)x 0.5311705E-13 GRAD(Rho)y -0.1667374E-12 GRAD(Rho)z 0.5837422E-13 Laplacian 0.5583384E-01 (-1/4)Del**2(Rho)) -0.1395846E-01 Diamond 0.1905180E-02 Metallicity 0.7922309E+00 Ellipticity -0.1187632E+01 Gb(Abramov) 0.1114869E-01 Vb(Abramov) -0.8338928E-02 Hb(Abramov) 0.2809766E-02 Ex_ueg -0.2062342E-02 Ec_ueg -0.4663756E-03 Delta_ex -0.2648178E-02 Delta_ec 0.5369779E-03 Delta_et -0.4181802E-02 Pxc 0.4422061E+01 Qxc -0.4931634E+01 3,+1 114 3 -1 -0.508758 2.768968 -1.851163 Rho 0.9787097E-01 |GRAD(Rho)| 0.2815011E-12 GRAD(Rho)x 0.1726229E-12 GRAD(Rho)y -0.5442249E-13 GRAD(Rho)z -0.2155977E-12 Laplacian 0.4016133E+00 (-1/4)Del**2(Rho)) -0.1004033E+00 Diamond 0.4891468E+00 Metallicity 0.3566385E+01 Ellipticity 0.8844223E-02 Gb(Abramov) 0.1266150E+00 Vb(Abramov) -0.1528267E+00 Hb(Abramov) -0.2621170E-01 Ex_ueg -0.3331120E-01 Ec_ueg -0.5196264E-02 Delta_ex -0.3898614E-01 Delta_ec 0.1132920E-01 Delta_et -0.1402185E+00 Pxc 0.6410605E+01 Qxc -0.3441209E+01 3,-1 115 3 -1 -0.863894 2.962868 2.013720 Rho 0.1392839E+00 |GRAD(Rho)| 0.2134966E-13 GRAD(Rho)x 0.9759812E-14 GRAD(Rho)y 0.7468168E-14 GRAD(Rho)z 0.1745796E-13 Laplacian 0.5522275E+00 (-1/4)Del**2(Rho)) -0.1380569E+00 Diamond 0.1022571E+01 Metallicity 0.4670139E+01 Ellipticity 0.6351549E-01 Gb(Abramov) 0.1994954E+00 Vb(Abramov) -0.2609339E+00 Hb(Abramov) -0.6143849E-01 Ex_ueg -0.5332359E-01 Ec_ueg -0.7761096E-02 Delta_ex -0.5822545E-01 Delta_ec 0.1424555E-01 Delta_et -0.1875559E+00 Pxc 0.6870627E+01 Qxc -0.4087272E+01 3,-1 116 3 -1 0.525677 1.663124 -1.746921 Rho 0.3842152E-01 |GRAD(Rho)| 0.1738793E-15 GRAD(Rho)x 0.3154160E-16 GRAD(Rho)y -0.1158890E-15 GRAD(Rho)z 0.1257334E-15 Laplacian 0.1586815E+00 (-1/4)Del**2(Rho)) -0.3967038E-01 Diamond 0.5770459E-01 Metallicity 0.1899813E+01 Ellipticity 0.1312643E-01 Gb(Abramov) 0.3900798E-01 Vb(Abramov) -0.3834557E-01 Hb(Abramov) 0.6624073E-03 Ex_ueg -0.9575270E-02 Ec_ueg -0.1785642E-02 Delta_ex -0.1232159E-01 Delta_ec 0.4898299E-02 Delta_et -0.4816804E-01 Pxc 0.5362368E+01 Qxc -0.2515485E+01 3,-1 117 3 +1 2.128072 -0.975164 1.367443 Rho 0.2293971E-01 |GRAD(Rho)| 0.2003462E-16 GRAD(Rho)x -0.1979471E-17 GRAD(Rho)y -0.1338060E-16 GRAD(Rho)z -0.1477928E-16 Laplacian 0.9011433E-01 (-1/4)Del**2(Rho)) -0.2252858E-01 Diamond 0.9768819E-02 Metallicity 0.1416225E+01 Ellipticity -0.2495582E+01 Gb(Abramov) 0.2033665E-01 Vb(Abramov) -0.1814471E-01 Hb(Abramov) 0.2191935E-02 Ex_ueg -0.4813957E-02 Ec_ueg -0.9855516E-03 Delta_ex -0.5392245E-02 Delta_ec 0.1376599E-02 Delta_et -0.1194111E-01 Pxc 0.4884531E+01 Qxc -0.3917076E+01 3,+1 118 3 +1 -1.326620 1.063996 2.096497 Rho 0.2220850E-01 |GRAD(Rho)| 0.2724621E-16 GRAD(Rho)x 0.2009170E-16 GRAD(Rho)y 0.2163135E-18 GRAD(Rho)z -0.1840199E-16 Laplacian 0.8664224E-01 (-1/4)Del**2(Rho)) -0.2166056E-01 Diamond 0.1022005E-01 Metallicity 0.1395561E+01 Ellipticity -0.4246090E+01 Gb(Abramov) 0.1947848E-01 Vb(Abramov) -0.1729640E-01 Hb(Abramov) 0.2182080E-02 Ex_ueg -0.4610458E-02 Ec_ueg -0.9492203E-03 Delta_ex -0.5296839E-02 Delta_ec 0.1604618E-02 Delta_et -0.1371465E-01 Pxc 0.4857100E+01 Qxc -0.3300996E+01 3,+1 119 3 +1 1.700035 0.558311 0.524801 Rho 0.8529148E-02 |GRAD(Rho)| 0.8586406E-17 GRAD(Rho)x 0.6087709E-17 GRAD(Rho)y 0.5046047E-17 GRAD(Rho)z 0.3347174E-17 Laplacian 0.3520254E-01 (-1/4)Del**2(Rho)) -0.8800636E-02 Diamond 0.9968253E-03 Metallicity 0.6969718E+00 Ellipticity -0.1454875E+01 Gb(Abramov) 0.6889390E-02 Vb(Abramov) -0.4978144E-02 Hb(Abramov) 0.1911246E-02 Ex_ueg -0.1287042E-02 Ec_ueg -0.3018111E-03 Delta_ex -0.1634585E-02 Delta_ec 0.5484891E-03 Delta_et -0.3697656E-02 Pxc 0.4264394E+01 Qxc -0.2980160E+01 3,+1 120 3 -1 0.019389 0.038374 -2.890283 Rho 0.4947467E-02 |GRAD(Rho)| 0.4446585E-15 GRAD(Rho)x -0.3514148E-15 GRAD(Rho)y -0.2693558E-15 GRAD(Rho)z -0.4094230E-16 Laplacian 0.1991998E-01 (-1/4)Del**2(Rho)) -0.4979996E-02 Diamond 0.5198074E-03 Metallicity 0.4969305E+00 Ellipticity 0.7526421E+01 Gb(Abramov) 0.3732449E-02 Vb(Abramov) -0.2484903E-02 Hb(Abramov) 0.1247547E-02 Ex_ueg -0.6226284E-03 Ec_ueg -0.1446528E-03 Delta_ex -0.1046606E-02 Delta_ec 0.7312093E-03 Delta_et -0.3916430E-02 Pxc 0.4304296E+01 Qxc -0.1431336E+01 3,-1 121 3 +3 -1.102559 -1.067967 1.153776 Rho 0.4659135E-02 |GRAD(Rho)| 0.9244646E-12 GRAD(Rho)x -0.9233424E-12 GRAD(Rho)y -0.4405321E-13 GRAD(Rho)z 0.1152818E-13 Laplacian 0.1875579E-01 (-1/4)Del**2(Rho)) -0.4688946E-02 Diamond 0.1291214E-03 Metallicity 0.4775147E+00 Ellipticity -0.2247541E+00 Gb(Abramov) 0.3499138E-02 Vb(Abramov) -0.2309329E-02 Hb(Abramov) 0.1189809E-02 Ex_ueg -0.5747233E-03 Ec_ueg -0.1322736E-03 Delta_ex -0.6458673E-03 Delta_ec 0.1012199E-03 Delta_et -0.7374433E-03 Pxc 0.4344958E+01 Qxc -0.6380835E+01 3,+3 122 3 -1 1.824967 -2.785733 -0.517631 Rho 0.1176089E+00 |GRAD(Rho)| 0.5448899E-12 GRAD(Rho)x -0.3788064E-12 GRAD(Rho)y -0.1207661E-12 GRAD(Rho)z -0.3725940E-12 Laplacian 0.4873162E+00 (-1/4)Del**2(Rho)) -0.1218291E+00 Diamond 0.7298038E+00 Metallicity 0.3992112E+01 Ellipticity 0.2868437E-01 Gb(Abramov) 0.1622786E+00 Vb(Abramov) -0.2027281E+00 Hb(Abramov) -0.4044952E-01 Ex_ueg -0.4255711E-01 Ec_ueg -0.6403567E-02 Delta_ex -0.4924113E-01 Delta_ec 0.1292569E-01 Delta_et -0.1652584E+00 Pxc 0.6645844E+01 Qxc -0.3809555E+01 3,-1 123 3 +1 2.025238 -1.996763 2.003562 Rho 0.1226243E-01 |GRAD(Rho)| 0.2276815E-16 GRAD(Rho)x 0.3919447E-17 GRAD(Rho)y 0.1588792E-16 GRAD(Rho)z 0.1583037E-16 Laplacian 0.5826085E-01 (-1/4)Del**2(Rho)) -0.1456521E-01 Diamond 0.2131066E-02 Metallicity 0.7712539E+00 Ellipticity -0.1211101E+01 Gb(Abramov) 0.1158239E-01 Vb(Abramov) -0.8599564E-02 Hb(Abramov) 0.2982825E-02 Ex_ueg -0.2088433E-02 Ec_ueg -0.4716973E-03 Delta_ex -0.2803317E-02 Delta_ec 0.6189929E-03 Delta_et -0.4770242E-02 Pxc 0.4427486E+01 Qxc -0.4528836E+01 3,+1 124 3 +3 1.835933 -1.805417 1.833086 Rho 0.1184547E-01 |GRAD(Rho)| 0.2774945E-16 GRAD(Rho)x -0.7118722E-17 GRAD(Rho)y -0.1821270E-16 GRAD(Rho)z -0.1968891E-16 Laplacian 0.5430303E-01 (-1/4)Del**2(Rho)) -0.1357576E-01 Diamond 0.1172326E-02 Metallicity 0.7811059E+00 Ellipticity -0.5204736E+00 Gb(Abramov) 0.1081785E-01 Vb(Abramov) -0.8059953E-02 Hb(Abramov) 0.2757902E-02 Ex_ueg -0.1994290E-02 Ec_ueg -0.4524403E-03 Delta_ex -0.2376323E-02 Delta_ec 0.1981450E-03 Delta_et -0.1873111E-02 Pxc 0.4407853E+01 Qxc -0.1199285E+02 3,+3 125 3 -1 1.703871 -1.687472 0.529355 Rho 0.3840270E-01 |GRAD(Rho)| 0.6640985E-16 GRAD(Rho)x -0.5667392E-16 GRAD(Rho)y 0.3449923E-16 GRAD(Rho)z 0.2852913E-17 Laplacian 0.1545460E+00 (-1/4)Del**2(Rho)) -0.3863649E-01 Diamond 0.5345168E-01 Metallicity 0.1949060E+01 Ellipticity 0.2694835E-01 Gb(Abramov) 0.3830846E-01 Vb(Abramov) -0.3798043E-01 Hb(Abramov) 0.3280270E-03 Ex_ueg -0.9569018E-02 Ec_ueg -0.1784639E-02 Delta_ex -0.1183287E-01 Delta_ec 0.4473997E-02 Delta_et -0.4396448E-01 Pxc 0.5361880E+01 Qxc -0.2644810E+01 3,-1 126 3 -1 1.698990 -0.435264 1.698085 Rho 0.3508381E-01 |GRAD(Rho)| 0.1020466E-14 GRAD(Rho)x 0.6737742E-15 GRAD(Rho)y 0.3624639E-15 GRAD(Rho)z 0.6752771E-15 Laplacian 0.1422197E+00 (-1/4)Del**2(Rho)) -0.3555492E-01 Diamond 0.4570039E-01 Metallicity 0.1821789E+01 Ellipticity 0.3697126E-01 Gb(Abramov) 0.3449888E-01 Vb(Abramov) -0.3344283E-01 Hb(Abramov) 0.1056046E-02 Ex_ueg -0.8482570E-02 Ec_ueg -0.1608696E-02 Delta_ex -0.1080031E-01 Delta_ec 0.4391343E-02 Delta_et -0.4211908E-01 Pxc 0.5272948E+01 Qxc -0.2459454E+01 3,-1 127 3 -1 3.271075 -0.077924 -3.121033 Rho 0.2461954E+00 |GRAD(Rho)| 0.1285644E-13 GRAD(Rho)x -0.8823183E-14 GRAD(Rho)y 0.2656268E-14 GRAD(Rho)z 0.8965701E-14 Laplacian 0.8732863E+00 (-1/4)Del**2(Rho)) -0.2183216E+00 Diamond 0.3206155E+01 Metallicity 0.7631143E+01 Ellipticity 0.2837806E-02 Gb(Abramov) 0.4232216E+00 Vb(Abramov) -0.6281216E+00 Hb(Abramov) -0.2049000E+00 Ex_ueg -0.1139615E+00 Ec_ueg -0.1486843E-01 Delta_ex -0.1063264E+00 Delta_ec 0.1934178E-01 Delta_et -0.2690213E+00 Pxc 0.7664663E+01 Qxc -0.5497239E+01 3,-1 128 3 -1 3.219486 0.120418 3.180204 Rho 0.2456954E+00 |GRAD(Rho)| 0.5407841E-15 GRAD(Rho)x -0.8131516E-17 GRAD(Rho)y 0.2489599E-16 GRAD(Rho)z 0.5401495E-15 Laplacian 0.8652195E+00 (-1/4)Del**2(Rho)) -0.2163049E+00 Diamond 0.3174093E+01 Metallicity 0.7676238E+01 Ellipticity 0.2660778E-02 Gb(Abramov) 0.4209379E+00 Vb(Abramov) -0.6255709E+00 Hb(Abramov) -0.2046330E+00 Ex_ueg -0.1136530E+00 Ec_ueg -0.1483370E-01 Delta_ex -0.1053157E+00 Delta_ec 0.1922373E-01 Delta_et -0.2675827E+00 Pxc 0.7661810E+01 Qxc -0.5478419E+01 3,-1 129 3 +3 2.388272 0.003986 -0.018201 Rho 0.4220710E-02 |GRAD(Rho)| 0.1901619E-14 GRAD(Rho)x -0.1333273E-14 GRAD(Rho)y -0.1179670E-14 GRAD(Rho)z 0.6685189E-15 Laplacian 0.1757075E-01 (-1/4)Del**2(Rho)) -0.4392687E-02 Diamond 0.1589935E-03 Metallicity 0.4323134E+00 Ellipticity -0.3042034E+00 Gb(Abramov) 0.3244961E-02 Vb(Abramov) -0.2097235E-02 Hb(Abramov) 0.1147726E-02 Ex_ueg -0.5037701E-03 Ec_ueg -0.1135325E-03 Delta_ex -0.6510977E-03 Delta_ec 0.2055540E-03 Delta_et -0.1203578E-02 Pxc 0.4437234E+01 Qxc -0.3167526E+01 3,+3 130 3 -1 0.031878 -2.917119 0.009013 Rho 0.4962248E-02 |GRAD(Rho)| 0.6837261E-13 GRAD(Rho)x -0.6660301E-13 GRAD(Rho)y 0.1219734E-13 GRAD(Rho)z 0.9490912E-14 Laplacian 0.2023162E-01 (-1/4)Del**2(Rho)) -0.5057906E-02 Diamond 0.5426590E-03 Metallicity 0.4917147E+00 Ellipticity 0.7711345E+01 Gb(Abramov) 0.3786445E-02 Vb(Abramov) -0.2514984E-02 Hb(Abramov) 0.1271461E-02 Ex_ueg -0.6251099E-03 Ec_ueg -0.1452885E-03 Delta_ex -0.1075376E-02 Delta_ec 0.7637504E-03 Delta_et -0.4087119E-02 Pxc 0.4302541E+01 Qxc -0.1408020E+01 3,-1 131 3 +1 -0.526153 -1.675963 0.529766 Rho 0.8646343E-02 |GRAD(Rho)| 0.1071981E-16 GRAD(Rho)x 0.7495171E-17 GRAD(Rho)y 0.3026625E-17 GRAD(Rho)z -0.7041039E-17 Laplacian 0.3583507E-01 (-1/4)Del**2(Rho)) -0.8958767E-02 Diamond 0.1036513E-02 Metallicity 0.7004207E+00 Ellipticity -0.1458933E+01 Gb(Abramov) 0.7018329E-02 Vb(Abramov) -0.5077891E-02 Hb(Abramov) 0.1940438E-02 Ex_ueg -0.1310675E-02 Ec_ueg -0.3070541E-03 Delta_ex -0.1670841E-02 Delta_ec 0.5605448E-03 Delta_et -0.3790943E-02 Pxc 0.4268547E+01 Qxc -0.2980745E+01 3,+1 132 3 +1 -1.743499 -1.744298 1.794396 Rho 0.1173981E-01 |GRAD(Rho)| 0.4658086E-14 GRAD(Rho)x -0.3415537E-14 GRAD(Rho)y 0.3164764E-14 GRAD(Rho)z 0.1270377E-15 Laplacian 0.5836369E-01 (-1/4)Del**2(Rho)) -0.1459092E-01 Diamond 0.2288641E-02 Metallicity 0.7159881E+00 Ellipticity -0.1262061E+01 Gb(Abramov) 0.1146844E-01 Vb(Abramov) -0.8345950E-02 Hb(Abramov) 0.3122486E-02 Ex_ueg -0.1970607E-02 Ec_ueg -0.4475713E-03 Delta_ex -0.2858033E-02 Delta_ec 0.7677839E-03 Delta_et -0.5718336E-02 Pxc 0.4402890E+01 Qxc -0.3722444E+01 3,+1 133 3 +1 -1.679090 0.499684 -0.604803 Rho 0.8746088E-02 |GRAD(Rho)| 0.2160781E-13 GRAD(Rho)x -0.7410115E-14 GRAD(Rho)y 0.1946433E-13 GRAD(Rho)z 0.5755632E-14 Laplacian 0.3747308E-01 (-1/4)Del**2(Rho)) -0.9368271E-02 Diamond 0.1143214E-02 Metallicity 0.6827319E+00 Ellipticity -0.1467360E+01 Gb(Abramov) 0.7311517E-02 Vb(Abramov) -0.5254763E-02 Hb(Abramov) 0.2056754E-02 Ex_ueg -0.1330874E-02 Ec_ueg -0.3115212E-03 Delta_ex -0.1770827E-02 Delta_ec 0.6194150E-03 Delta_et -0.4177601E-02 Pxc 0.4272177E+01 Qxc -0.2858870E+01 3,+1 134 3 -1 -0.349924 -0.359445 -0.387993 Rho 0.2032184E+00 |GRAD(Rho)| 0.1034849E-10 GRAD(Rho)x 0.5877843E-11 GRAD(Rho)y 0.6061527E-11 GRAD(Rho)z 0.5983314E-11 Laplacian 0.7333614E+00 (-1/4)Del**2(Rho)) -0.1833403E+00 Diamond 0.2374044E+01 Metallicity 0.6600347E+01 Ellipticity 0.1118443E-02 Gb(Abramov) 0.3239119E+00 Vb(Abramov) -0.4644834E+00 Hb(Abramov) -0.1405715E+00 Ex_ueg -0.8824072E-01 Ec_ueg -0.1193368E-01 Delta_ex -0.8653912E-01 Delta_ec 0.1996389E-01 Delta_et -0.2845852E+00 Pxc 0.7394259E+01 Qxc -0.4334782E+01 3,-1 135 3 -1 0.461513 -1.627212 1.738403 Rho 0.3576937E-01 |GRAD(Rho)| 0.1505369E-13 GRAD(Rho)x 0.3524508E-15 GRAD(Rho)y 0.1012062E-13 GRAD(Rho)z -0.1113833E-13 Laplacian 0.1440278E+00 (-1/4)Del**2(Rho)) -0.3600696E-01 Diamond 0.4757687E-01 Metallicity 0.1857885E+01 Ellipticity 0.5934226E-01 Gb(Abramov) 0.3515411E-01 Vb(Abramov) -0.3430125E-01 Hb(Abramov) 0.8528554E-03 Ex_ueg -0.8704291E-02 Ec_ueg -0.1644861E-02 Delta_ex -0.1099347E-01 Delta_ec 0.4454159E-02 Delta_et -0.4295028E-01 Pxc 0.5291811E+01 Qxc -0.2468137E+01 3,-1 136 3 +1 1.149200 2.117175 -1.257935 Rho 0.2461018E-01 |GRAD(Rho)| 0.1893827E-13 GRAD(Rho)x -0.2193088E-14 GRAD(Rho)y 0.1404300E-13 GRAD(Rho)z -0.1251569E-13 Laplacian 0.9987385E-01 (-1/4)Del**2(Rho)) -0.2496846E-01 Diamond 0.1466647E-01 Metallicity 0.1436656E+01 Ellipticity -0.1245577E+02 Gb(Abramov) 0.2262416E-01 Vb(Abramov) -0.2027985E-01 Hb(Abramov) 0.2344305E-02 Ex_ueg -0.5286946E-02 Ec_ueg -0.1069108E-02 Delta_ex -0.6394510E-02 Delta_ec 0.2067762E-02 Delta_et -0.1809180E-01 Pxc 0.4945195E+01 Qxc -0.3092479E+01 3,+1 137 3 -1 1.671136 1.723697 -0.489382 Rho 0.3743745E-01 |GRAD(Rho)| 0.5794344E-16 GRAD(Rho)x 0.5185398E-16 GRAD(Rho)y 0.2584859E-16 GRAD(Rho)z -0.6765146E-18 Laplacian 0.1538390E+00 (-1/4)Del**2(Rho)) -0.3845975E-01 Diamond 0.5391686E-01 Metallicity 0.1876681E+01 Ellipticity 0.1424876E-01 Gb(Abramov) 0.3766928E-01 Vb(Abramov) -0.3687881E-01 Hb(Abramov) 0.7904681E-03 Ex_ueg -0.9249680E-02 Ec_ueg -0.1733247E-02 Delta_ex -0.1186431E-01 Delta_ec 0.4739542E-02 Delta_et -0.4627668E-01 Pxc 0.5336621E+01 Qxc -0.2503262E+01 3,-1 138 3 +1 1.773188 1.759053 1.783248 Rho 0.1196761E-01 |GRAD(Rho)| 0.1158170E-13 GRAD(Rho)x -0.8944383E-14 GRAD(Rho)y 0.6366124E-14 GRAD(Rho)z 0.3688654E-14 Laplacian 0.6010078E-01 (-1/4)Del**2(Rho)) -0.1502519E-01 Diamond 0.2424948E-02 Metallicity 0.7179241E+00 Ellipticity -0.1263304E+01 Gb(Abramov) 0.1181462E-01 Vb(Abramov) -0.8604048E-02 Hb(Abramov) 0.3210573E-02 Ex_ueg -0.2021753E-02 Ec_ueg -0.4580738E-03 Delta_ex -0.2959540E-02 Delta_ec 0.7933690E-03 Delta_et -0.5934807E-02 Pxc 0.4413597E+01 Qxc -0.3730345E+01 3,+1 139 3 -1 0.897054 1.945783 -3.048129 Rho 0.1554138E+00 |GRAD(Rho)| 0.7305498E-13 GRAD(Rho)x -0.5506142E-13 GRAD(Rho)y 0.4284523E-13 GRAD(Rho)z 0.2166924E-13 Laplacian 0.6105586E+00 (-1/4)Del**2(Rho)) -0.1526397E+00 Diamond 0.1283529E+01 Metallicity 0.5070317E+01 Ellipticity 0.6459260E-01 Gb(Abramov) 0.2307483E+00 Vb(Abramov) -0.3088570E+00 Hb(Abramov) -0.7810869E-01 Ex_ueg -0.6171222E-01 Ec_ueg -0.8790971E-02 Delta_ex -0.6607139E-01 Delta_ec 0.1522587E-01 Delta_et -0.2033535E+00 Pxc 0.7019955E+01 Qxc -0.4339415E+01 3,-1 140 3 +1 2.123002 1.344194 -1.041674 Rho 0.2426024E-01 |GRAD(Rho)| 0.6289995E-16 GRAD(Rho)x 0.3542213E-16 GRAD(Rho)y 0.5148851E-16 GRAD(Rho)z 0.7114106E-17 Laplacian 0.9640717E-01 (-1/4)Del**2(Rho)) -0.2410179E-01 Diamond 0.1248157E-01 Metallicity 0.1453211E+01 Ellipticity -0.3826224E+01 Gb(Abramov) 0.2190536E-01 Vb(Abramov) -0.1970893E-01 Hb(Abramov) 0.2196431E-02 Ex_ueg -0.5186946E-02 Ec_ueg -0.1051541E-02 Delta_ex -0.5991465E-02 Delta_ec 0.1713312E-02 Delta_et -0.1499320E-01 Pxc 0.4932711E+01 Qxc -0.3497008E+01 3,+1 141 3 -1 1.851015 -0.551154 -2.765890 Rho 0.1156058E+00 |GRAD(Rho)| 0.3069187E-13 GRAD(Rho)x 0.2427340E-13 GRAD(Rho)y 0.1842983E-13 GRAD(Rho)z 0.3624125E-14 Laplacian 0.4778440E+00 (-1/4)Del**2(Rho)) -0.1194610E+00 Diamond 0.7037313E+00 Metallicity 0.3956338E+01 Ellipticity 0.1016825E-01 Gb(Abramov) 0.1584120E+00 Vb(Abramov) -0.1973630E+00 Hb(Abramov) -0.3895101E-01 Ex_ueg -0.4159344E-01 Ec_ueg -0.6279732E-02 Delta_ex -0.4812548E-01 Delta_ec 0.1279446E-01 Delta_et -0.1631965E+00 Pxc 0.6623442E+01 Qxc -0.3761431E+01 3,-1 142 3 +1 1.686915 -0.542375 -0.552517 Rho 0.8577442E-02 |GRAD(Rho)| 0.6736204E-16 GRAD(Rho)x -0.3216099E-16 GRAD(Rho)y -0.1952212E-16 GRAD(Rho)z 0.5587667E-16 Laplacian 0.3608979E-01 (-1/4)Del**2(Rho)) -0.9022447E-02 Diamond 0.1051508E-02 Metallicity 0.6862650E+00 Ellipticity -0.1458647E+01 Gb(Abramov) 0.7046929E-02 Vb(Abramov) -0.5071412E-02 Hb(Abramov) 0.1975517E-02 Ex_ueg -0.1296768E-02 Ec_ueg -0.3039709E-03 Delta_ex -0.1687937E-02 Delta_ec 0.5798124E-03 Delta_et -0.3901798E-02 Pxc 0.4266090E+01 Qxc -0.2911177E+01 3,+1 143 3 -1 2.016847 -0.796826 2.957172 Rho 0.1253010E+00 |GRAD(Rho)| 0.4665131E-13 GRAD(Rho)x -0.3774290E-13 GRAD(Rho)y -0.2094553E-13 GRAD(Rho)z -0.1769470E-13 Laplacian 0.4933606E+00 (-1/4)Del**2(Rho)) -0.1233402E+00 Diamond 0.8031024E+00 Metallicity 0.4382341E+01 Ellipticity 0.3181164E-01 Gb(Abramov) 0.1723132E+00 Vb(Abramov) -0.2212863E+00 Hb(Abramov) -0.4897306E-01 Ex_ueg -0.4630818E-01 Ec_ueg -0.6881719E-02 Delta_ex -0.5068747E-01 Delta_ec 0.1302242E-01 Delta_et -0.1685281E+00 Pxc 0.6729160E+01 Qxc -0.3892325E+01 3,-1 144 3 -1 1.735597 0.492908 -1.676107 Rho 0.3798531E-01 |GRAD(Rho)| 0.1507911E-12 GRAD(Rho)x -0.1385884E-12 GRAD(Rho)y -0.5813843E-13 GRAD(Rho)z 0.1229281E-13 Laplacian 0.1566429E+00 (-1/4)Del**2(Rho)) -0.3916074E-01 Diamond 0.5607241E-01 Metallicity 0.1888260E+01 Ellipticity 0.3030909E-01 Gb(Abramov) 0.3843143E-01 Vb(Abramov) -0.3770213E-01 Hb(Abramov) 0.7293025E-03 Ex_ueg -0.9430600E-02 Ec_ueg -0.1762394E-02 Delta_ex -0.1212847E-01 Delta_ec 0.4834177E-02 Delta_et -0.4738930E-01 Pxc 0.5351016E+01 Qxc -0.2508900E+01 3,-1 145 3 +1 1.309912 1.091981 -2.147759 Rho 0.2327748E-01 |GRAD(Rho)| 0.3780398E-16 GRAD(Rho)x 0.1519337E-16 GRAD(Rho)y 0.8774455E-18 GRAD(Rho)z -0.3460538E-16 Laplacian 0.9109619E-01 (-1/4)Del**2(Rho)) -0.2277405E-01 Diamond 0.1139909E-01 Metallicity 0.1435510E+01 Ellipticity -0.4449387E+01 Gb(Abramov) 0.2063143E-01 Vb(Abramov) -0.1848881E-01 Hb(Abramov) 0.2142621E-02 Ex_ueg -0.4908698E-02 Ec_ueg -0.1002385E-02 Delta_ex -0.5630555E-02 Delta_ec 0.1673711E-02 Delta_et -0.1448115E-01 Pxc 0.4897018E+01 Qxc -0.3364114E+01 3,+1 146 3 -1 1.838046 0.629802 2.813470 Rho 0.1520279E+00 |GRAD(Rho)| 0.5119277E-12 GRAD(Rho)x 0.3887515E-12 GRAD(Rho)y -0.3227459E-12 GRAD(Rho)z -0.8232509E-13 Laplacian 0.6373144E+00 (-1/4)Del**2(Rho)) -0.1593286E+00 Diamond 0.1298445E+01 Metallicity 0.4682362E+01 Ellipticity 0.2300202E-01 Gb(Abramov) 0.2305581E+00 Vb(Abramov) -0.3017876E+00 Hb(Abramov) -0.7122950E-01 Ex_ueg -0.5992612E-01 Ec_ueg -0.8573456E-02 Delta_ex -0.6853037E-01 Delta_ec 0.1587034E-01 Delta_et -0.2110791E+00 Pxc 0.6989728E+01 Qxc -0.4318141E+01 3,-1 147 3 -1 2.043098 0.827243 -2.976034 Rho 0.1183086E+00 |GRAD(Rho)| 0.1116672E-15 GRAD(Rho)x -0.7946524E-16 GRAD(Rho)y 0.7838104E-16 GRAD(Rho)z 0.3354250E-17 Laplacian 0.4640548E+00 (-1/4)Del**2(Rho)) -0.1160137E+00 Diamond 0.7074668E+00 Metallicity 0.4233869E+01 Ellipticity 0.2038389E-01 Gb(Abramov) 0.1592069E+00 Vb(Abramov) -0.2024002E+00 Hb(Abramov) -0.4319324E-01 Ex_ueg -0.4289499E-01 Ec_ueg -0.6446887E-02 Delta_ex -0.4705995E-01 Delta_ec 0.1247527E-01 Delta_et -0.1599640E+00 Pxc 0.6653597E+01 Qxc -0.3772258E+01 3,-1 148 3 -1 2.793205 0.615692 1.809789 Rho 0.1476750E+00 |GRAD(Rho)| 0.2601976E-15 GRAD(Rho)x -0.6317511E-16 GRAD(Rho)y -0.2359495E-15 GRAD(Rho)z 0.8966352E-16 Laplacian 0.6169665E+00 (-1/4)Del**2(Rho)) -0.1542416E+00 Diamond 0.1209706E+01 Metallicity 0.4608186E+01 Ellipticity 0.1761421E-01 Gb(Abramov) 0.2212901E+00 Vb(Abramov) -0.2883386E+00 Hb(Abramov) -0.6704848E-01 Ex_ueg -0.5764936E-01 Ec_ueg -0.8294849E-02 Delta_ex -0.6582638E-01 Delta_ec 0.1539976E-01 Delta_et -0.2038421E+00 Pxc 0.6950019E+01 Qxc -0.4274507E+01 3,-1 149 3 -1 3.013127 0.844697 -1.956123 Rho 0.1546821E+00 |GRAD(Rho)| 0.3886199E-14 GRAD(Rho)x 0.1316858E-14 GRAD(Rho)y -0.1299484E-14 GRAD(Rho)z -0.3417568E-14 Laplacian 0.6105457E+00 (-1/4)Del**2(Rho)) -0.1526364E+00 Diamond 0.1271085E+01 Metallicity 0.5030701E+01 Ellipticity 0.6664392E-01 Gb(Abramov) 0.2297357E+00 Vb(Abramov) -0.3068349E+00 Hb(Abramov) -0.7709924E-01 Ex_ueg -0.6132514E-01 Ec_ueg -0.8743908E-02 Delta_ex -0.6594357E-01 Delta_ec 0.1515553E-01 Delta_et -0.2020744E+00 Pxc 0.7013471E+01 Qxc -0.4351124E+01 3,-1 150 3 -1 -2.937998 -1.982235 -0.812865 Rho 0.1204934E+00 |GRAD(Rho)| 0.4834452E-15 GRAD(Rho)x -0.2566239E-15 GRAD(Rho)y 0.3091196E-15 GRAD(Rho)z -0.2689025E-15 Laplacian 0.4701878E+00 (-1/4)Del**2(Rho)) -0.1175470E+00 Diamond 0.7321041E+00 Metallicity 0.4308047E+01 Ellipticity 0.2444594E-01 Gb(Abramov) 0.1627643E+00 Vb(Abramov) -0.2079816E+00 Hb(Abramov) -0.4521732E-01 Ex_ueg -0.4395443E-01 Ec_ueg -0.6582389E-02 Delta_ex -0.4788144E-01 Delta_ec 0.1257061E-01 Delta_et -0.1616777E+00 Pxc 0.6677580E+01 Qxc -0.3808998E+01 3,-1 151 3 -1 -2.736982 -1.839213 0.575625 Rho 0.1140014E+00 |GRAD(Rho)| 0.2264297E-14 GRAD(Rho)x 0.3793556E-15 GRAD(Rho)y -0.1838461E-14 GRAD(Rho)z -0.1266172E-14 Laplacian 0.4793484E+00 (-1/4)Del**2(Rho)) -0.1198371E+00 Diamond 0.6972941E+00 Metallicity 0.3853118E+01 Ellipticity 0.1243910E-01 Gb(Abramov) 0.1568492E+00 Vb(Abramov) -0.1938612E+00 Hb(Abramov) -0.3701204E-01 Ex_ueg -0.4082555E-01 Ec_ueg -0.6180748E-02 Delta_ex -0.4816178E-01 Delta_ec 0.1295627E-01 Delta_et -0.1649700E+00 Pxc 0.6605277E+01 Qxc -0.3717258E+01 3,-1 152 3 -1 -1.978910 -0.901532 -3.019971 Rho 0.1673551E+00 |GRAD(Rho)| 0.1601134E-13 GRAD(Rho)x -0.1306413E-13 GRAD(Rho)y 0.7224229E-14 GRAD(Rho)z -0.5788081E-14 Laplacian 0.6517587E+00 (-1/4)Del**2(Rho)) -0.1629397E+00 Diamond 0.1496704E+01 Metallicity 0.5373509E+01 Ellipticity 0.6777259E-01 Gb(Abramov) 0.2545528E+00 Vb(Abramov) -0.3461658E+00 Hb(Abramov) -0.9161308E-01 Ex_ueg -0.6811411E-01 Ec_ueg -0.9563596E-02 Delta_ex -0.7183259E-01 Delta_ec 0.1593672E-01 Delta_et -0.2147742E+00 Pxc 0.7122228E+01 Qxc -0.4507364E+01 3,-1 153 3 -1 -1.890276 -0.535290 2.794297 Rho 0.1005300E+00 |GRAD(Rho)| 0.2067212E-12 GRAD(Rho)x 0.1494165E-12 GRAD(Rho)y -0.1308381E-12 GRAD(Rho)z 0.5735659E-13 Laplacian 0.4204615E+00 (-1/4)Del**2(Rho)) -0.1051154E+00 Diamond 0.5274746E+00 Metallicity 0.3562157E+01 Ellipticity 0.1561413E-01 Gb(Abramov) 0.1324832E+00 Vb(Abramov) -0.1598509E+00 Hb(Abramov) -0.2736779E-01 Ex_ueg -0.3452332E-01 Ec_ueg -0.5357169E-02 Delta_ex -0.4104582E-01 Delta_ec 0.1174702E-01 Delta_et -0.1461194E+00 Pxc 0.6444323E+01 Qxc -0.3494148E+01 3,-1 154 3 -1 -0.792101 -1.993241 -2.991091 Rho 0.1041182E+00 |GRAD(Rho)| 0.9974017E-13 GRAD(Rho)x 0.7621411E-13 GRAD(Rho)y -0.5719352E-13 GRAD(Rho)z 0.2946885E-13 Laplacian 0.4106800E+00 (-1/4)Del**2(Rho)) -0.1026700E+00 Diamond 0.5363432E+00 Metallicity 0.3866527E+01 Ellipticity 0.1309076E-01 Gb(Abramov) 0.1346094E+00 Vb(Abramov) -0.1665488E+00 Hb(Abramov) -0.3193938E-01 Ex_ueg -0.3617603E-01 Ec_ueg -0.5575189E-02 Delta_ex -0.4040236E-01 Delta_ec 0.1135255E-01 Delta_et -0.1421455E+00 Pxc 0.6488753E+01 Qxc -0.3558881E+01 3,-1 155 3 +1 -1.024101 -1.341087 -2.151901 Rho 0.2297968E-01 |GRAD(Rho)| 0.2093395E-16 GRAD(Rho)x 0.1442794E-16 GRAD(Rho)y -0.1508793E-16 GRAD(Rho)z 0.1555332E-17 Laplacian 0.8896305E-01 (-1/4)Del**2(Rho)) -0.2224076E-01 Diamond 0.1022757E-01 Metallicity 0.1438721E+01 Ellipticity -0.3142839E+01 Gb(Abramov) 0.2016022E-01 Vb(Abramov) -0.1807967E-01 Hb(Abramov) 0.2080544E-02 Ex_ueg -0.4825144E-02 Ec_ueg -0.9875419E-03 Delta_ex -0.5393953E-02 Delta_ec 0.1480594E-02 Delta_et -0.1280953E-01 Pxc 0.4886014E+01 Qxc -0.3643101E+01 3,+1 156 3 +1 1.338091 -1.020376 2.104981 Rho 0.2414874E-01 |GRAD(Rho)| 0.2041529E-16 GRAD(Rho)x -0.5674095E-17 GRAD(Rho)y -0.2719598E-18 GRAD(Rho)z 0.1960905E-16 Laplacian 0.9625088E-01 (-1/4)Del**2(Rho)) -0.2406272E-01 Diamond 0.1292872E-01 Metallicity 0.1444439E+01 Ellipticity -0.5143350E+01 Gb(Abramov) 0.2183467E-01 Vb(Abramov) -0.1960662E-01 Hb(Abramov) 0.2228051E-02 Ex_ueg -0.5155186E-02 Ec_ueg -0.1045951E-02 Delta_ex -0.6036573E-02 Delta_ec 0.1821422E-02 Delta_et -0.1589386E-01 Pxc 0.4928709E+01 Qxc -0.3314209E+01 3,+1 157 3 -1 -0.623735 -1.754427 2.863428 Rho 0.1703070E+00 |GRAD(Rho)| 0.7605884E-15 GRAD(Rho)x 0.3605785E-15 GRAD(Rho)y -0.6655646E-15 GRAD(Rho)z -0.7417298E-16 Laplacian 0.7062076E+00 (-1/4)Del**2(Rho)) -0.1765519E+00 Diamond 0.1638278E+01 Metallicity 0.5105850E+01 Ellipticity 0.3794716E-01 Gb(Abramov) 0.2679425E+00 Vb(Abramov) -0.3593332E+00 Hb(Abramov) -0.9139064E-01 Ex_ueg -0.6972068E-01 Ec_ueg -0.9755885E-02 Delta_ex -0.7802432E-01 Delta_ec 0.1692171E-01 Delta_et -0.2277589E+00 Pxc 0.7146525E+01 Qxc -0.4610901E+01 3,-1 158 3 -1 -0.011434 3.190409 3.242023 Rho 0.2466284E+00 |GRAD(Rho)| 0.3279215E-14 GRAD(Rho)x 0.2132084E-14 GRAD(Rho)y -0.4737963E-15 GRAD(Rho)z 0.2446014E-14 Laplacian 0.8687797E+00 (-1/4)Del**2(Rho)) -0.2171949E+00 Diamond 0.3204127E+01 Metallicity 0.7693228E+01 Ellipticity 0.2876394E-02 Gb(Abramov) 0.4232850E+00 Vb(Abramov) -0.6293750E+00 Hb(Abramov) -0.2060900E+00 Ex_ueg -0.1142288E+00 Ec_ueg -0.1489852E-01 Delta_ex -0.1058662E+00 Delta_ec 0.1930301E-01 Delta_et -0.2688188E+00 Pxc 0.7667129E+01 Qxc -0.5484438E+01 3,-1 159 3 -1 -0.018235 3.129997 -3.268969 Rho 0.2458160E+00 |GRAD(Rho)| 0.2284103E-14 GRAD(Rho)x -0.1133262E-15 GRAD(Rho)y 0.1755757E-14 GRAD(Rho)z -0.1456571E-14 Laplacian 0.8731651E+00 (-1/4)Del**2(Rho)) -0.2182913E+00 Diamond 0.3197101E+01 Metallicity 0.7612614E+01 Ellipticity 0.4209235E-02 Gb(Abramov) 0.4224887E+00 Vb(Abramov) -0.6266862E+00 Hb(Abramov) -0.2041974E+00 Ex_ueg -0.1137275E+00 Ec_ueg -0.1484209E-01 Delta_ex -0.1062550E+00 Delta_ec 0.1932347E-01 Delta_et -0.2686430E+00 Pxc 0.7662499E+01 Qxc -0.5498754E+01 3,-1 160 3 -1 2.985403 -0.791721 1.971678 Rho 0.1049337E+00 |GRAD(Rho)| 0.6194054E-15 GRAD(Rho)x -0.1360132E-15 GRAD(Rho)y 0.4472537E-15 GRAD(Rho)z 0.4063590E-15 Laplacian 0.4201294E+00 (-1/4)Del**2(Rho)) -0.1050324E+00 Diamond 0.5555244E+00 Metallicity 0.3829025E+01 Ellipticity 0.2989362E-01 Gb(Abramov) 0.1370502E+00 Vb(Abramov) -0.1690680E+00 Hb(Abramov) -0.3201781E-01 Ex_ueg -0.3655428E-01 Ec_ueg -0.5624874E-02 Delta_ex -0.4143415E-01 Delta_ec 0.1164097E-01 Delta_et -0.1460393E+00 Pxc 0.6498685E+01 Qxc -0.3559339E+01 3,-1 161 3 -1 2.794957 -0.598561 -1.781974 Rho 0.1369309E+00 |GRAD(Rho)| 0.7080242E-15 GRAD(Rho)x -0.6359828E-15 GRAD(Rho)y -0.4946672E-16 GRAD(Rho)z -0.3072087E-15 Laplacian 0.5713806E+00 (-1/4)Del**2(Rho)) -0.1428451E+00 Diamond 0.1032752E+01 Metallicity 0.4387228E+01 Ellipticity 0.4314652E-01 Gb(Abramov) 0.1996791E+00 Vb(Abramov) -0.2565131E+00 Hb(Abramov) -0.5683399E-01 Ex_ueg -0.5212592E-01 Ec_ueg -0.7612228E-02 Delta_ex -0.5995251E-01 Delta_ec 0.1472344E-01 Delta_et -0.1931886E+00 Pxc 0.6847656E+01 Qxc -0.4071910E+01 3,-1 162 3 -1 -3.184894 -0.002339 -3.186811 Rho 0.2450672E+00 |GRAD(Rho)| 0.2397742E-14 GRAD(Rho)x 0.2109966E-14 GRAD(Rho)y 0.9169640E-15 GRAD(Rho)z 0.6755664E-15 Laplacian 0.8737215E+00 (-1/4)Del**2(Rho)) -0.2184304E+00 Diamond 0.3183167E+01 Metallicity 0.7569180E+01 Ellipticity 0.2655138E-02 Gb(Abramov) 0.4211767E+00 Vb(Abramov) -0.6239230E+00 Hb(Abramov) -0.2027463E+00 Ex_ueg -0.1132658E+00 Ec_ueg -0.1479010E-01 Delta_ex -0.1062160E+00 Delta_ec 0.1931418E-01 Delta_et -0.2683114E+00 Pxc 0.7658216E+01 Qxc -0.5499378E+01 3,-1 163 3 -1 -3.025778 0.900590 1.966331 Rho 0.1593646E+00 |GRAD(Rho)| 0.2406437E-15 GRAD(Rho)x 0.1082576E-15 GRAD(Rho)y -0.2142383E-15 GRAD(Rho)z -0.1707618E-16 Laplacian 0.6287572E+00 (-1/4)Del**2(Rho)) -0.1571893E+00 Diamond 0.1359572E+01 Metallicity 0.5133931E+01 Ellipticity 0.7605114E-01 Gb(Abramov) 0.2392927E+00 Vb(Abramov) -0.3213961E+00 Hb(Abramov) -0.8210339E-01 Ex_ueg -0.6381276E-01 Ec_ueg -0.9045654E-02 Delta_ex -0.6844075E-01 Delta_ec 0.1553661E-01 Delta_et -0.2080625E+00 Pxc 0.7054522E+01 Qxc -0.4405129E+01 3,-1 164 3 +3 -1.819174 1.816960 1.838114 Rho 0.1184967E-01 |GRAD(Rho)| 0.2745514E-15 GRAD(Rho)x 0.1444462E-15 GRAD(Rho)y -0.1630957E-15 GRAD(Rho)z -0.1670735E-15 Laplacian 0.5392433E-01 (-1/4)Del**2(Rho)) -0.1348108E-01 Diamond 0.1094300E-02 Metallicity 0.7870556E+00 Ellipticity -0.5711881E+00 Gb(Abramov) 0.1075578E-01 Vb(Abramov) -0.8030481E-02 Hb(Abramov) 0.2725300E-02 Ex_ueg -0.1995232E-02 Ec_ueg -0.4526336E-03 Delta_ex -0.2339301E-02 Delta_ec 0.1598104E-03 Delta_et -0.1612460E-02 Pxc 0.4408050E+01 Qxc -0.1463798E+02 3,+3 165 3 -1 -2.030879 0.837102 2.957994 Rho 0.1177602E+00 |GRAD(Rho)| 0.2788516E-15 GRAD(Rho)x 0.1079459E-15 GRAD(Rho)y 0.2550111E-15 GRAD(Rho)z 0.3279034E-16 Laplacian 0.4617991E+00 (-1/4)Del**2(Rho)) -0.1154498E+00 Diamond 0.6987515E+00 Metallicity 0.4221736E+01 Ellipticity 0.1554795E-01 Gb(Abramov) 0.1581996E+00 Vb(Abramov) -0.2009494E+00 Hb(Abramov) -0.4274982E-01 Ex_ueg -0.4263011E-01 Ec_ueg -0.6412932E-02 Delta_ex -0.4676084E-01 Delta_ec 0.1239479E-01 Delta_et -0.1587486E+00 Pxc 0.6647523E+01 Qxc -0.3772619E+01 3,-1 166 3 -1 -1.656688 1.713605 0.423179 Rho 0.4281849E-01 |GRAD(Rho)| 0.4352530E-16 GRAD(Rho)x -0.1857649E-16 GRAD(Rho)y -0.3315838E-16 GRAD(Rho)z 0.2121055E-16 Laplacian 0.1697484E+00 (-1/4)Del**2(Rho)) -0.4243709E-01 Diamond 0.6901250E-01 Metallicity 0.2127452E+01 Ellipticity 0.2848552E-01 Gb(Abramov) 0.4333854E-01 Vb(Abramov) -0.4423999E-01 Hb(Abramov) -0.9014481E-03 Ex_ueg -0.1106352E-01 Ec_ueg -0.2021931E-02 Delta_ex -0.1340420E-01 Delta_ec 0.4998872E-02 Delta_et -0.5058593E-01 Pxc 0.5471760E+01 Qxc -0.2681445E+01 3,-1 167 3 -1 0.864991 2.939704 -2.042363 Rho 0.1281339E+00 |GRAD(Rho)| 0.1385962E-15 GRAD(Rho)x 0.7748657E-16 GRAD(Rho)y 0.9596544E-16 GRAD(Rho)z 0.6320899E-16 Laplacian 0.5006932E+00 (-1/4)Del**2(Rho)) -0.1251733E+00 Diamond 0.8391462E+00 Metallicity 0.4482103E+01 Ellipticity 0.2795746E-01 Gb(Abramov) 0.1769555E+00 Vb(Abramov) -0.2287376E+00 Hb(Abramov) -0.5178216E-01 Ex_ueg -0.4770940E-01 Ec_ueg -0.7058839E-02 Delta_ex -0.5174160E-01 Delta_ec 0.1318788E-01 Delta_et -0.1713784E+00 Pxc 0.6758818E+01 Qxc -0.3923419E+01 3,-1 168 3 -1 -0.863185 1.962538 3.015075 Rho 0.1532276E+00 |GRAD(Rho)| 0.6539817E-16 GRAD(Rho)x 0.4550939E-16 GRAD(Rho)y -0.4151139E-16 GRAD(Rho)z 0.2196865E-16 Laplacian 0.6073635E+00 (-1/4)Del**2(Rho)) -0.1518409E+00 Diamond 0.1250757E+01 Metallicity 0.4978051E+01 Ellipticity 0.6125460E-01 Gb(Abramov) 0.2272058E+00 Vb(Abramov) -0.3025708E+00 Hb(Abramov) -0.7536496E-01 Ex_ueg -0.6055745E-01 Ec_ueg -0.8650443E-02 Delta_ex -0.6545219E-01 Delta_ec 0.1512223E-01 Delta_et -0.2014047E+00 Pxc 0.7000502E+01 Qxc -0.4328211E+01 3,-1 169 3 -1 -0.787805 -2.955135 -2.006025 Rho 0.1174723E+00 |GRAD(Rho)| 0.2034918E-15 GRAD(Rho)x 0.9398000E-16 GRAD(Rho)y 0.9937391E-16 GRAD(Rho)z -0.1506702E-15 Laplacian 0.4609167E+00 (-1/4)Del**2(Rho)) -0.1152292E+00 Diamond 0.6951755E+00 Metallicity 0.4212596E+01 Ellipticity 0.2365326E-01 Gb(Abramov) 0.1577218E+00 Vb(Abramov) -0.2002144E+00 Hb(Abramov) -0.4249261E-01 Ex_ueg -0.4249120E-01 Ec_ueg -0.6395112E-02 Delta_ex -0.4664169E-01 Delta_ec 0.1237345E-01 Delta_et -0.1583992E+00 Pxc 0.6644325E+01 Qxc -0.3769497E+01 3,-1 170 3 -1 0.623502 -1.796759 -2.791373 Rho 0.1522083E+00 |GRAD(Rho)| 0.1871058E-13 GRAD(Rho)x -0.1083199E-13 GRAD(Rho)y -0.1525612E-13 GRAD(Rho)z -0.6684784E-16 Laplacian 0.6327358E+00 (-1/4)Del**2(Rho)) -0.1581839E+00 Diamond 0.1285023E+01 Metallicity 0.4725575E+01 Ellipticity 0.2059651E-01 Gb(Abramov) 0.2300410E+00 Vb(Abramov) -0.3018980E+00 Hb(Abramov) -0.7185704E-01 Ex_ueg -0.6002095E-01 Ec_ueg -0.8585027E-02 Delta_ex -0.6800003E-01 Delta_ec 0.1564819E-01 Delta_et -0.2079097E+00 Pxc 0.6991352E+01 Qxc -0.4345552E+01 3,-1 171 3 -1 0.840520 -1.933936 2.997715 Rho 0.1432729E+00 |GRAD(Rho)| 0.9792351E-16 GRAD(Rho)x -0.1894643E-16 GRAD(Rho)y 0.9570795E-16 GRAD(Rho)z 0.8368686E-17 Laplacian 0.5589812E+00 (-1/4)Del**2(Rho)) -0.1397453E+00 Diamond 0.1067149E+01 Metallicity 0.4836034E+01 Ellipticity 0.4748181E-01 Gb(Abramov) 0.2057990E+00 Vb(Abramov) -0.2718528E+00 Hb(Abramov) -0.6605374E-01 Ex_ueg -0.5536948E-01 Ec_ueg -0.8014282E-02 Delta_ex -0.5930636E-01 Delta_ec 0.1425179E-01 Delta_et -0.1882795E+00 Pxc 0.6908850E+01 Qxc -0.4161327E+01 3,-1 172 3 -1 1.788605 2.801841 0.603584 Rho 0.1499985E+00 |GRAD(Rho)| 0.8291515E-14 GRAD(Rho)x 0.6119061E-14 GRAD(Rho)y -0.4988584E-15 GRAD(Rho)z -0.5572921E-14 Laplacian 0.6312984E+00 (-1/4)Del**2(Rho)) -0.1578246E+00 Diamond 0.1260765E+01 Metallicity 0.4622282E+01 Ellipticity 0.2436379E-01 Gb(Abramov) 0.2268014E+00 Vb(Abramov) -0.2957782E+00 Hb(Abramov) -0.6897678E-01 Ex_ueg -0.5886188E-01 Ec_ueg -0.8443416E-02 Delta_ex -0.6761059E-01 Delta_ec 0.1568771E-01 Delta_et -0.2080733E+00 Pxc 0.6971335E+01 Qxc -0.4309782E+01 3,-1 173 3 -1 2.758709 -1.845480 -0.512609 Rho 0.1314863E+00 |GRAD(Rho)| 0.6282224E-16 GRAD(Rho)x -0.4619718E-16 GRAD(Rho)y 0.1040834E-16 GRAD(Rho)z -0.4128100E-16 Laplacian 0.5541052E+00 (-1/4)Del**2(Rho)) -0.1385263E+00 Diamond 0.9397728E+00 Metallicity 0.4228196E+01 Ellipticity 0.3760986E-01 Gb(Abramov) 0.1899703E+00 Vb(Abramov) -0.2414142E+00 Hb(Abramov) -0.5144397E-01 Ex_ueg -0.4938091E-01 Ec_ueg -0.7269126E-02 Delta_ex -0.5740318E-01 Delta_ec 0.1411994E-01 Delta_et -0.1835309E+00 Pxc 0.6793239E+01 Qxc -0.4065398E+01 3,-1 174 3 -1 2.984667 -1.978826 0.865757 Rho 0.1694397E+00 |GRAD(Rho)| 0.6833197E-15 GRAD(Rho)x -0.1610989E-15 GRAD(Rho)y -0.4964562E-15 GRAD(Rho)z -0.4410263E-15 Laplacian 0.6559031E+00 (-1/4)Del**2(Rho)) -0.1639758E+00 Diamond 0.1526466E+01 Metallicity 0.5450864E+01 Ellipticity 0.4782511E-01 Gb(Abramov) 0.2582855E+00 Vb(Abramov) -0.3525951E+00 Hb(Abramov) -0.9430969E-01 Ex_ueg -0.6924768E-01 Ec_ueg -0.9699336E-02 Delta_ex -0.7249382E-01 Delta_ec 0.1595181E-01 Delta_et -0.2151883E+00 Pxc 0.7139425E+01 Qxc -0.4544553E+01 3,-1 175 3 -1 -4.301103 3.786023 -0.766411 Rho 0.3258786E+00 |GRAD(Rho)| 0.3160010E-13 GRAD(Rho)x 0.1339172E-13 GRAD(Rho)y -0.2862216E-13 GRAD(Rho)z 0.4493510E-17 Laplacian -0.1787053E+01 (-1/4)Del**2(Rho)) 0.4467633E+00 Diamond 0.6287808E+01 Metallicity -0.5950708E+01 Ellipticity 0.1222066E-02 Gb(Abramov) 0.1452508E+00 Vb(Abramov) -0.7372649E+00 Hb(Abramov) -0.5920141E+00 Ex_ueg -0.1656251E+00 Ec_ueg -0.2057827E-01 Delta_ex 0.1795742E+00 Delta_ec 0.6174475E-01 Delta_et -0.1478910E+01 Pxc 0.8048544E+01 Qxc 0.2908332E+01 3,-1 176 3 -1 -1.814061 0.525121 -2.770093 Rho 0.1222246E+00 |GRAD(Rho)| 0.1089676E-15 GRAD(Rho)x 0.3407105E-16 GRAD(Rho)y 0.9127627E-17 GRAD(Rho)z 0.1031009E-15 Laplacian 0.5124921E+00 (-1/4)Del**2(Rho)) -0.1281230E+00 Diamond 0.8091213E+00 Metallicity 0.4047535E+01 Ellipticity 0.1480032E-01 Gb(Abramov) 0.1718458E+00 Vb(Abramov) -0.2155685E+00 Hb(Abramov) -0.4372273E-01 Ex_ueg -0.4479850E-01 Ec_ueg -0.6689997E-02 Delta_ex -0.5233284E-01 Delta_ec 0.1359380E-01 Delta_et -0.1751631E+00 Pxc 0.6696340E+01 Qxc -0.3849757E+01 3,-1 177 3 -1 -3.304143 -0.007993 3.131661 Rho 0.2456339E+00 |GRAD(Rho)| 0.2345677E-14 GRAD(Rho)x 0.1079432E-14 GRAD(Rho)y -0.2316127E-15 GRAD(Rho)z -0.2069634E-14 Laplacian 0.8636181E+00 (-1/4)Del**2(Rho)) -0.2159045E+00 Diamond 0.3169975E+01 Metallicity 0.7687266E+01 Ellipticity 0.3658310E-02 Gb(Abramov) 0.4205556E+00 Vb(Abramov) -0.6252066E+00 Hb(Abramov) -0.2046511E+00 Ex_ueg -0.1136151E+00 Ec_ueg -0.1482944E-01 Delta_ex -0.1051279E+00 Delta_ec 0.1921456E-01 Delta_et -0.2675649E+00 Pxc 0.7661458E+01 Qxc -0.5471260E+01 3,-1 178 3 -1 0.159424 -3.183917 -3.188191 Rho 0.2450805E+00 |GRAD(Rho)| 0.2936827E-15 GRAD(Rho)x -0.4824700E-16 GRAD(Rho)y 0.1313511E-15 GRAD(Rho)z 0.2582027E-15 Laplacian 0.8679856E+00 (-1/4)Del**2(Rho)) -0.2169964E+00 Diamond 0.3170153E+01 Metallicity 0.7619888E+01 Ellipticity 0.2669502E-02 Gb(Abramov) 0.4202456E+00 Vb(Abramov) -0.6234949E+00 Hb(Abramov) -0.2032492E+00 Ex_ueg -0.1132740E+00 Ec_ueg -0.1479102E-01 Delta_ex -0.1055599E+00 Delta_ec 0.1925802E-01 Delta_et -0.2678512E+00 Pxc 0.7658292E+01 Qxc -0.5481349E+01 3,-1 179 3 -1 -0.079739 -3.107231 3.256652 Rho 0.2449762E+00 |GRAD(Rho)| 0.8466270E-15 GRAD(Rho)x 0.1976636E-15 GRAD(Rho)y 0.7856129E-15 GRAD(Rho)z -0.2460055E-15 Laplacian 0.8645388E+00 (-1/4)Del**2(Rho)) -0.2161347E+00 Diamond 0.3158320E+01 Metallicity 0.7644842E+01 Ellipticity 0.6115082E-03 Gb(Abramov) 0.4194757E+00 Vb(Abramov) -0.6228168E+00 Hb(Abramov) -0.2033410E+00 Ex_ueg -0.1132097E+00 Ec_ueg -0.1478378E-01 Delta_ex -0.1051413E+00 Delta_ec 0.1920592E-01 Delta_et -0.2672211E+00 Pxc 0.7657695E+01 Qxc -0.5474423E+01 3,-1 180 3 -1 -0.573306 -2.719106 1.864270 Rho 0.1277337E+00 |GRAD(Rho)| 0.6175163E-15 GRAD(Rho)x 0.2297018E-15 GRAD(Rho)y 0.2068183E-15 GRAD(Rho)z 0.5345930E-15 Laplacian 0.5304714E+00 (-1/4)Del**2(Rho)) -0.1326179E+00 Diamond 0.8821996E+00 Metallicity 0.4208497E+01 Ellipticity 0.6510018E-02 Gb(Abramov) 0.1814322E+00 Vb(Abramov) -0.2302466E+00 Hb(Abramov) -0.4881436E-01 Ex_ueg -0.4751081E-01 Ec_ueg -0.7033783E-02 Delta_ex -0.5473421E-01 Delta_ec 0.1390511E-01 Delta_et -0.1804651E+00 Pxc 0.6754660E+01 Qxc -0.3936266E+01 3,-1 181 3 -1 -0.423899 -1.692233 -1.703288 Rho 0.3723567E-01 |GRAD(Rho)| 0.4633504E-16 GRAD(Rho)x -0.1757604E-16 GRAD(Rho)y 0.3608964E-16 GRAD(Rho)z 0.2314210E-16 Laplacian 0.1518588E+00 (-1/4)Del**2(Rho)) -0.3796471E-01 Diamond 0.5298683E-01 Metallicity 0.1884104E+01 Ellipticity 0.2310343E-01 Gb(Abramov) 0.3723139E-01 Vb(Abramov) -0.3649806E-01 Hb(Abramov) 0.7333243E-03 Ex_ueg -0.9183267E-02 Ec_ueg -0.1722526E-02 Delta_ex -0.1170592E-01 Delta_ec 0.4696180E-02 Delta_et -0.4578666E-01 Pxc 0.5331280E+01 Qxc -0.2492648E+01 3,-1 182 3 -1 0.560626 1.828758 2.836035 Rho 0.1210195E+00 |GRAD(Rho)| 0.2697981E-15 GRAD(Rho)x -0.1555830E-15 GRAD(Rho)y 0.2200863E-15 GRAD(Rho)z -0.1212274E-16 Laplacian 0.5075980E+00 (-1/4)Del**2(Rho)) -0.1268995E+00 Diamond 0.7925443E+00 Metallicity 0.4019627E+01 Ellipticity 0.9642627E-02 Gb(Abramov) 0.1696144E+00 Vb(Abramov) -0.2123294E+00 Hb(Abramov) -0.4271494E-01 Ex_ueg -0.4421053E-01 Ec_ueg -0.6615071E-02 Delta_ex -0.5171887E-01 Delta_ec 0.1351053E-01 Delta_et -0.1738202E+00 Pxc 0.6683304E+01 Qxc -0.3828042E+01 3,-1 183 3 -1 -2.717658 1.835523 -0.577780 Rho 0.1820723E+00 |GRAD(Rho)| 0.6410322E-15 GRAD(Rho)x 0.8931115E-17 GRAD(Rho)y 0.5417216E-15 GRAD(Rho)z 0.3426079E-15 Laplacian 0.7533310E+00 (-1/4)Del**2(Rho)) -0.1883328E+00 Diamond 0.1888622E+01 Metallicity 0.5350166E+01 Ellipticity 0.1011634E-01 Gb(Abramov) 0.2934904E+00 Vb(Abramov) -0.3986481E+00 Hb(Abramov) -0.1051577E+00 Ex_ueg -0.7621557E-01 Ec_ueg -0.1052733E-01 Delta_ex -0.8460635E-01 Delta_ec 0.1766651E-01 Delta_et -0.2391945E+00 Pxc 0.7239779E+01 Qxc -0.4789082E+01 3,-1 184 3 -1 -1.938059 2.959196 0.796074 Rho 0.1326243E+00 |GRAD(Rho)| 0.5490301E-14 GRAD(Rho)x -0.3321541E-14 GRAD(Rho)y -0.1393390E-14 GRAD(Rho)z -0.4143577E-14 Laplacian 0.5216839E+00 (-1/4)Del**2(Rho)) -0.1304210E+00 Diamond 0.9036672E+00 Metallicity 0.4555934E+01 Ellipticity 0.1904210E-01 Gb(Abramov) 0.1859789E+00 Vb(Abramov) -0.2415367E+00 Hb(Abramov) -0.5555789E-01 Ex_ueg -0.4995156E-01 Ec_ueg -0.7340676E-02 Delta_ex -0.5427131E-01 Delta_ec 0.1346870E-01 Delta_et -0.1756988E+00 Pxc 0.6804762E+01 Qxc -0.4029440E+01 3,-1 185 3 -1 -2.919660 2.024952 0.800076 Rho 0.1103737E+00 |GRAD(Rho)| 0.1571905E-15 GRAD(Rho)x 0.6728830E-17 GRAD(Rho)y 0.1397604E-16 GRAD(Rho)z -0.1564233E-15 Laplacian 0.4316125E+00 (-1/4)Del**2(Rho)) -0.1079031E+00 Diamond 0.6014746E+00 Metallicity 0.4054731E+01 Ellipticity 0.1654986E-01 Gb(Abramov) 0.1448551E+00 Vb(Abramov) -0.1818071E+00 Hb(Abramov) -0.3695198E-01 Ex_ueg -0.3910264E-01 Ec_ueg -0.5957630E-02 Delta_ex -0.4299907E-01 Delta_ec 0.1168821E-01 Delta_et -0.1478515E+00 Pxc 0.6563455E+01 Qxc -0.3678843E+01 3,-1 186 3 -1 3.134226 3.245224 0.071836 Rho 0.2453889E+00 |GRAD(Rho)| 0.1486048E-13 GRAD(Rho)x -0.9225910E-14 GRAD(Rho)y -0.1163300E-13 GRAD(Rho)z 0.6243378E-15 Laplacian 0.8678880E+00 (-1/4)Del**2(Rho)) -0.2169720E+00 Diamond 0.3174439E+01 Metallicity 0.7636732E+01 Ellipticity 0.1226481E-02 Gb(Abramov) 0.4208075E+00 Vb(Abramov) -0.6246430E+00 Hb(Abramov) -0.2038355E+00 Ex_ueg -0.1134640E+00 Ec_ueg -0.1481242E-01 Delta_ex -0.1055819E+00 Delta_ec 0.1924717E-01 Delta_et -0.2677048E+00 Pxc 0.7660057E+01 Qxc -0.5485581E+01 3,-1 187 3 -1 -3.122363 -3.226888 0.055636 Rho 0.2452578E+00 |GRAD(Rho)| 0.6611837E-10 GRAD(Rho)x -0.4652203E-10 GRAD(Rho)y -0.4554091E-10 GRAD(Rho)z 0.1154837E-10 Laplacian 0.8676827E+00 (-1/4)Del**2(Rho)) -0.2169207E+00 Diamond 0.3171445E+01 Metallicity 0.7631743E+01 Ellipticity 0.1046176E-02 Gb(Abramov) 0.4205276E+00 Vb(Abramov) -0.6241345E+00 Hb(Abramov) -0.2036069E+00 Ex_ueg -0.1133833E+00 Ec_ueg -0.1480333E-01 Delta_ex -0.1055412E+00 Delta_ec 0.1924380E-01 Delta_et -0.2676448E+00 Pxc 0.7659308E+01 Qxc -0.5484423E+01 3,-1 188 3 -1 3.817475 -4.505826 0.108065 Rho 0.3247292E+00 |GRAD(Rho)| 0.5973371E-15 GRAD(Rho)x 0.4730603E-15 GRAD(Rho)y -0.2763305E-15 GRAD(Rho)z 0.2380482E-15 Laplacian -0.1774837E+01 (-1/4)Del**2(Rho)) 0.4437093E+00 Diamond 0.6221072E+01 Metallicity -0.5956488E+01 Ellipticity 0.1380494E-02 Gb(Abramov) 0.1446853E+00 Vb(Abramov) -0.7330800E+00 Hb(Abramov) -0.5883946E+00 Ex_ueg -0.1648467E+00 Ec_ueg -0.2049340E-01 Delta_ex 0.1780908E+00 Delta_ec 0.6133908E-01 Delta_et -0.1467001E+01 Pxc 0.8043890E+01 Qxc 0.2903383E+01 3,-1 189 3 -1 3.227339 -3.239249 0.001245 Rho 0.1654041E+00 |GRAD(Rho)| 0.6570352E-14 GRAD(Rho)x 0.5439171E-15 GRAD(Rho)y -0.5242199E-14 GRAD(Rho)z -0.3923396E-14 Laplacian 0.6130418E+00 (-1/4)Del**2(Rho)) -0.1532605E+00 Diamond 0.1414344E+01 Metallicity 0.5602304E+01 Ellipticity 0.1280969E+00 Gb(Abramov) 0.2452756E+00 Vb(Abramov) -0.3372907E+00 Hb(Abramov) -0.9201513E-01 Ex_ueg -0.6705739E-01 Ec_ueg -0.9436781E-02 Delta_ex -0.6759740E-01 Delta_ec 0.1544497E-01 Delta_et -0.2089565E+00 Pxc 0.7105960E+01 Qxc -0.4376661E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 135 157 180 171 97 179 181 170 99 154 169 178 116 84 114 139 167 159 83 182 72 168 115 158 125 173 122 174 104 189 137 105 172 106 107 186 166 183 68 185 184 56 86 151 112 150 111 187 95 60 176 61 152 162 110 63 153 163 165 177 126 148 146 160 143 128 144 161 141 149 147 127 87 134 93 76 120 130 188 175 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 21 26 45 47 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 23 28 55 54 2.494627 1.837962 1.953091 1.917817 2.112392 1.709352 2.475566 1.883360 1.881073 2.045242 1.998542 1.709083 2.460170 1.899356 2.060320 1.883826 1.963317 1.707788 2.508074 1.972452 1.987152 1.888915 1.927538 1.706622 2.455028 1.940194 1.986753 1.850910 1.815997 1.860202 2.472125 1.971522 1.887175 2.013752 1.920025 1.708658 2.413348 1.813545 1.832859 2.025279 1.949264 1.861642 2.471465 1.997197 1.907345 1.987438 1.897280 1.708835 2.446119 2.114038 1.969020 1.897761 1.855069 1.708838 2.521625 1.878409 2.047217 1.873556 1.996010 1.708235 2.501790 1.894559 1.882371 2.039045 1.971702 1.708259 2.465321 1.924666 1.993350 1.886316 1.994061 1.707175 1.562859 1.555170 1.555116 1.563194 3.305083 3.289141 0.985343 0.984194 2.495706 1.838491 1.953592 1.918638 2.112887 1.709360 2.476563 1.883886 1.881604 2.046098 1.999491 1.709089 2.461263 1.899921 2.060868 1.884495 1.964173 1.707797 2.509140 1.973085 1.987753 1.889677 1.928014 1.706631 2.456449 1.941108 1.987601 1.851805 1.817039 1.861934 2.473176 1.972118 1.887691 2.014623 1.920857 1.708665 2.414224 1.814404 1.833527 2.026270 1.950541 1.863243 2.472515 1.997761 1.907993 1.988341 1.898017 1.708844 2.447317 2.114638 1.969638 1.898544 1.855622 1.708854 2.522611 1.879012 2.047703 1.874074 1.996886 1.708245 2.502832 1.895093 1.882847 2.039641 1.972596 1.708264 2.466362 1.925302 1.994065 1.887078 1.994885 1.707183 1.562891 1.555182 1.555126 1.563229 3.316068 3.296931 0.985649 0.984478 29 23 27 23 25 21 29 23 25 25 25 21 31 26 25 25 26 20 29 25 23 24 26 20 29 23 26 22 23 23 29 27 23 26 26 20 27 22 22 24 25 24 29 23 25 23 24 20 27 25 23 24 23 20 29 23 24 23 23 20 29 23 26 24 27 22 29 25 27 23 23 21 22 23 23 22 35 35 20 19 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O P H H 2.4079 2.4041 2.4024 2.3877 2.5137 2.4056 2.5360 2.3963 2.3882 2.3959 2.4066 2.3953 -1.0388 -1.0478 -1.0468 -1.0381 -0.8910 -0.8814 -0.8501 -0.8898 -0.8898 -0.8890 -0.8987 -0.8788 -0.8584 -0.8973 -0.8880 -0.8791 -0.8519 -0.8693 -0.8661 -0.8641 -0.8869 -0.8660 -0.8699 -0.8620 -0.8756 -0.8707 -0.8353 -0.8732 -0.6341 -0.6350 -0.6290 -0.6269 -0.6466 -0.6346 -0.6482 -0.6348 -0.6304 -0.6340 -0.6332 -0.6280 2.1064 0.3085 0.3138 1.8961 1.8931 1.8956 1.9042 1.9011 1.9021 1.8916 1.9040 1.9038 1.8978 1.8930 1.9005 1.8978 1.8956 1.8954 1.8974 1.9473 1.9492 1.9614 1.9472 1.9479 1.9478 1.9460 1.9524 1.9548 1.9467 1.9476 1.9493 1.9601 1.9570 1.9585 1.9588 1.9566 1.9590 1.9568 1.9610 1.9575 1.9584 1.9663 1.9572 1.9915 1.9910 1.9915 1.9923 1.8866 1.9907 1.8854 1.9905 1.9910 1.9913 1.9917 1.9917 2.5044 0.5943 0.5897 6.0654 6.0677 6.0654 6.0702 6.0404 6.0621 6.0425 6.0666 6.0669 6.0660 6.0674 6.0672 5.1014 5.1117 5.1110 5.1007 4.9168 4.9055 4.8591 4.9154 4.9148 4.9134 4.9264 4.8977 4.8743 4.9236 4.9136 4.9021 4.8608 4.8823 4.8781 4.8750 4.9012 4.8761 4.8834 4.8699 4.8887 4.8828 4.8373 4.8864 4.6049 4.6064 4.5996 4.5965 4.7280 4.6062 4.7316 4.6067 4.6016 4.6049 4.6037 4.5983 7.5568 0.0972 0.0965 3.6306 3.6351 3.6366 3.6379 3.5449 3.6302 3.5299 3.6331 3.6411 3.6403 3.6331 3.6370 0.0397 0.0405 0.0405 0.0399 0.0269 0.0266 0.0296 0.0273 0.0270 0.0278 0.0263 0.0286 0.0293 0.0270 0.0268 0.0277 0.0311 0.0299 0.0296 0.0303 0.0291 0.0309 0.0298 0.0310 0.0294 0.0294 0.0317 0.0295 0.0376 0.0376 0.0379 0.0381 0.0320 0.0376 0.0312 0.0376 0.0377 0.0378 0.0378 0.0380 0.8323 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O P H H 3.181614 3.182428 3.185636 3.189771 3.218417 3.187221 3.214214 3.187833 3.180040 3.181818 3.188262 3.184991 -1.123294 -1.137739 -1.137832 -1.126283 -1.150483 -1.132282 -1.093539 -1.150115 -1.150588 -1.151278 -1.156237 -1.135199 -1.117388 -1.155171 -1.146358 -1.138017 -1.094647 -1.112923 -1.105427 -1.104244 -1.122526 -1.107772 -1.114544 -1.102227 -1.114221 -1.101506 -1.064002 -1.112747 -0.891785 -0.892633 -0.886066 -0.883959 -0.624025 -0.893623 -0.628355 -0.894027 -0.888278 -0.892277 -0.890271 -0.884953 1.999215 0.163515 0.163869 2.402473 2.403295 2.408273 2.411229 2.239808 2.405545 2.243608 2.405226 2.403818 2.406874 2.407810 2.405696 -0.907705 -0.933893 -0.932782 -0.908003 -0.893116 -0.832069 -0.825755 -0.885021 -0.891524 -0.891134 -0.893593 -0.887475 -0.838006 -0.885961 -0.889427 -0.852880 -0.829375 -0.874520 -0.876962 -0.847154 -0.884714 -0.871287 -0.876013 -0.871328 -0.882797 -0.828179 -0.807028 -0.873917 -0.619723 -0.620848 -0.613360 -0.612568 -0.665693 -0.625105 -0.670292 -0.625743 -0.615017 -0.619199 -0.618687 -0.613594 1.534370 0.456175 0.457248 2.470754 2.467638 2.477638 2.477336 2.596430 2.477219 2.599062 2.478029 2.467707 2.469865 2.476568 2.473331 -0.909047 -0.929229 -0.932813 -0.916540 -0.972337 -0.951603 -0.935283 -0.955630 -0.964054 -0.967129 -0.983973 -0.950650 -0.951444 -0.962405 -0.971986 -0.958565 -0.912009 -0.910990 -0.919030 -0.925931 -0.942825 -0.908099 -0.915175 -0.907135 -0.931773 -0.915185 -0.893071 -0.918362 -0.578539 -0.576574 -0.570745 -0.569696 -0.716621 -0.581815 -0.692481 -0.583826 -0.577086 -0.577112 -0.573569 -0.570848 1.538137 0.445500 0.465972 -1.01768762 -1.94604268 -1.22894528 2.51656049 15.51634871 -61.14088339 13.12665914 21.32867350 -11.89211527 -36.84502221 -355.2716 403.5828 -163.5407 -324.1754 -1.9425 -441.3475 Feb16-2023 07:49:40 Nodes: 1 Procs: 1 Feb16-2023 07:49:41 Nodes: 1 Procs: 1 0 Feb16-2023 07:49:41 Nodes: 1 Procs: 1 Feb16-2023 07:49:41 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Feb16-2023 07:49:42 Nodes: 1 Procs: 1 Feb16-2023 07:49:43 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Feb16-2023 07:49:44 Nodes: 1 Procs: 1 Feb16-2023 07:49:44 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Feb16-2023 07:49:45 Nodes: 1 Procs: 24 *** (NO TITLE) *** -1 -15.56749184 -16.00210146 -15.29290640 -16.15160255 -16.19934237 -16.21164728 -16.21362607 -16.21475120 -16.21584584 -16.21599819 -16.21622839 -16.21629691 -16.21642890 -16.21649474 -16.21661801 -16.21673296 -16.21683806 -16.21708284 -16.21720620 -16.21730014 -16.21734198 -16.21737035 -16.21739090 -16.21746954 -16.21749161 -16.21751759 -16.21752725 -16.21753385 -16.21754251 -16.21754203 -16.21754715 -16.21761026 -16.21770483 -16.21781326 -16.21801941 -16.21815871 -16.21831604 -16.21846171 -16.21860590 -16.21867857 -16.21878581 -16.21884011 -16.21890565 -16.21894220 -16.21898662 -16.21903140 -16.21906630 -16.21910997 -16.21914145 -16.21916264 -16.21918110 -16.21918303 -16.21919357 -16.21920999 -16.21921337 -16.21922240 GEOMETRY CONVERGED