ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar28-2024 23:35:52 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.04 0.41 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 Mar28-2024 23:35:52 Nodes: 1 Procs: 1 Mar28-2024 23:35:52 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar28-2024 23:35:52 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.04 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 Mar28-2024 23:35:52 Nodes: 1 Procs: 1 Mar28-2024 23:35:52 Nodes: 1 Procs: 1 0 Mar28-2024 23:35:52 Nodes: 1 Procs: 1 Mar28-2024 23:35:53 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar28-2024 23:35:53 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.04 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 Mar28-2024 23:35:52 Nodes: 1 Procs: 1 Mar28-2024 23:35:52 Nodes: 1 Procs: 1 0 Mar28-2024 23:35:52 Nodes: 1 Procs: 1 Mar28-2024 23:35:53 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar28-2024 23:35:53 Nodes: 1 Procs: 1 Mar28-2024 23:35:54 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar28-2024 23:35:55 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 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 Mar28-2024 23:35:52 Nodes: 1 Procs: 1 Mar28-2024 23:35:52 Nodes: 1 Procs: 1 0 Mar28-2024 23:35:52 Nodes: 1 Procs: 1 Mar28-2024 23:35:53 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar28-2024 23:35:53 Nodes: 1 Procs: 1 Mar28-2024 23:35:54 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar28-2024 23:35:55 Nodes: 1 Procs: 1 Mar28-2024 23:35:55 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar28-2024 23:35:56 Hydrogen (TZP) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.33 0.04 1.41 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Mar28-2024 23:35:52 Nodes: 1 Procs: 1 Mar28-2024 23:35:52 Nodes: 1 Procs: 1 0 Mar28-2024 23:35:52 Nodes: 1 Procs: 1 Mar28-2024 23:35:53 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar28-2024 23:35:53 Nodes: 1 Procs: 1 Mar28-2024 23:35:54 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar28-2024 23:35:55 Nodes: 1 Procs: 1 Mar28-2024 23:35:55 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar28-2024 23:35:56 Nodes: 1 Procs: 1 Mar28-2024 23:35:57 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar28-2024 23:35:59 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2005.7151609999976 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0.913694 -0.855372 -0.904594 0.884656 0.917456 -3.233894 -1.119009 0.992930 2.697104 -1.211228 -1.298254 4.102804 0.232765 3.508306 3.089867 1.329402 1.147574 0.254538 3.519081 4.082679 1.334190 1.149841 3.098653 -1.126894 0.951440 -3.225039 -1.179480 -1.288903 2.780577 -1.318507 2.739485 -1.178462 -0.245101 3.537350 -3.714697 1.136566 3.082534 1.312256 0.942887 -3.302020 -1.090630 3.353611 -1.482989 1.396677 3.992630 -0.001678 -3.502261 3.536174 1.697877 -1.356811 -3.334588 1.559305 1.375135 1.728519 -1.351719 3.586910 1.534029 1.316363 -3.321868 -1.477033 1.400734 3.369811 -3.702317 -0.211204 3.581349 -1.365383 3.565852 1.722516 1.343007 -3.329766 1.589618 1.370788 3.341641 -1.493041 0.036753 -3.488026 4.057928 0.006671 2.396866 2.824544 2.831000 -0.012504 2.401969 -0.075492 -0.080471 -0.057208 -1.600552 1.100956 -4.071163 -4.055406 -1.629729 1.157637 1.112629 -4.126635 -1.594982 1 3 -3 0.394920 -2.319976 2.854551 Rho 0.4361415E+07 3,-3 2 3 -3 -0.016055 2.315416 -2.546343 Rho 0.4361414E+07 3,-3 3 3 -3 2.275196 -2.575025 0.014508 Rho 0.4361414E+07 3,-3 4 3 -3 2.382487 2.783758 -0.015639 Rho 0.4361414E+07 3,-3 5 3 -3 -2.341689 2.819506 0.407632 Rho 0.4361415E+07 3,-3 6 3 -3 -2.554162 0.009559 2.337243 Rho 0.4361414E+07 3,-3 7 3 -3 2.794604 0.364826 -2.332231 Rho 0.4361415E+07 3,-3 8 3 -3 3.538699 -3.703296 -0.191950 Rho 0.3195283E+03 3,-3 9 3 -3 3.496091 4.065561 0.219502 Rho 0.3194741E+03 3,-3 10 3 -3 -3.517675 4.015061 0.048219 Rho 0.3194685E+03 3,-3 11 3 -3 0.900353 -0.901824 0.920013 Rho 0.3187853E+03 3,-3 12 3 -3 -0.907798 -0.938827 -0.934644 Rho 0.3190861E+03 3,-3 13 3 -3 0.904004 0.913694 -0.855372 Rho 0.3187801E+03 3,-3 14 3 -3 -0.904594 0.884656 0.917456 Rho 0.3187805E+03 3,-3 15 3 -3 -3.233894 -1.119009 0.992930 Rho 0.3187513E+03 3,-3 16 3 -3 2.697104 -1.211228 -1.298254 Rho 0.3187962E+03 3,-3 17 3 -3 4.102804 0.232765 3.508306 Rho 0.3196289E+03 3,-3 18 3 -3 3.089867 1.329402 1.147574 Rho 0.3189955E+03 3,-3 19 3 -3 0.254538 3.519081 4.082679 Rho 0.3196245E+03 3,-3 20 3 -3 1.334190 1.149841 3.098653 Rho 0.3190632E+03 3,-3 21 3 -3 -1.126894 0.951440 -3.225039 Rho 0.3187562E+03 3,-3 22 3 -3 -1.179480 -1.288903 2.780577 Rho 0.3187966E+03 3,-3 23 3 -3 -1.318507 2.739485 -1.178462 Rho 0.3187930E+03 3,-3 24 3 -3 -0.245101 3.537350 -3.714697 Rho 0.3195218E+03 3,-3 25 3 -3 1.136566 3.082534 1.312256 Rho 0.3189647E+03 3,-3 26 3 -3 0.942887 -3.302020 -1.090630 Rho 0.3187501E+03 3,-3 27 3 -3 3.353611 -1.482989 1.396677 Rho 0.3191173E+03 3,-3 28 3 -3 3.992630 -0.001678 -3.502261 Rho 0.3194723E+03 3,-3 29 3 -3 3.536174 1.697877 -1.356811 Rho 0.3190831E+03 3,-3 30 3 -3 -3.334588 1.559305 1.375135 Rho 0.3189944E+03 3,-3 31 3 -3 1.728519 -1.351719 3.586910 Rho 0.3191335E+03 3,-3 32 3 -3 1.534029 1.316363 -3.321868 Rho 0.3189983E+03 3,-3 33 3 -3 -1.477033 1.400734 3.369811 Rho 0.3190987E+03 3,-3 34 3 -3 -3.702317 -0.211204 3.581349 Rho 0.3195213E+03 3,-3 35 3 -3 -1.365383 3.565852 1.722516 Rho 0.3191401E+03 3,-3 36 3 -3 1.343007 -3.329766 1.589618 Rho 0.3189954E+03 3,-3 37 3 -3 1.370788 3.341641 -1.493041 Rho 0.3190037E+03 3,-3 38 3 -3 0.036753 -3.488026 4.057928 Rho 0.3194710E+03 3,-3 39 3 -3 0.006671 2.396866 2.824544 Rho 0.1240647E+06 3,-3 40 3 -3 2.831000 -0.012504 2.401969 Rho 0.1240647E+06 3,-3 41 3 -3 -0.075492 -0.080471 -0.057208 Rho 0.2439643E+04 3,-3 42 3 -3 -1.600552 1.100956 -4.071163 Rho 0.4490127E+00 3,-3 43 3 -3 -4.055406 -1.629729 1.157637 Rho 0.4482112E+00 3,-3 44 3 -3 1.112629 -4.126635 -1.594982 Rho 0.4472521E+00 3,-3 45 3 -1 -1.816160 -0.675687 2.563667 Rho 0.1370866E+00 |GRAD(Rho)| 0.3594181E-15 GRAD(Rho)x 0.1866996E-15 GRAD(Rho)y -0.2934122E-15 GRAD(Rho)z 0.9074095E-16 Laplacian 0.5837781E+00 (-1/4)Del**2(Rho)) -0.1459445E+00 Diamond 0.1080225E+01 Metallicity 0.4302198E+01 Ellipticity 0.3044709E-01 Gb(Abramov) 0.2019434E+00 Vb(Abramov) -0.2579423E+00 Hb(Abramov) -0.5599887E-01 Ex_ueg -0.5220496E-01 Ec_ueg -0.7622067E-02 Delta_ex -0.6153560E-01 Delta_ec 0.1551248E-01 Delta_et -0.2045405E+00 Pxc 0.6849186E+01 Qxc -0.3966843E+01 3,-1 46 3 -1 -2.979727 3.467556 0.212477 Rho 0.2588431E+00 |GRAD(Rho)| 0.2438725E-13 GRAD(Rho)x -0.3082929E-14 GRAD(Rho)y 0.3255534E-14 GRAD(Rho)z -0.2397155E-13 Laplacian 0.9401887E+00 (-1/4)Del**2(Rho)) -0.2350472E+00 Diamond 0.3620097E+01 Metallicity 0.7705351E+01 Ellipticity 0.4031917E-02 Gb(Abramov) 0.4585516E+00 Vb(Abramov) -0.6820561E+00 Hb(Abramov) -0.2235045E+00 Ex_ueg -0.1218336E+00 Ec_ueg -0.1575140E-01 Delta_ex -0.1157631E+00 Delta_ec 0.2011258E-01 Delta_et -0.2781772E+00 Pxc 0.7734781E+01 Qxc -0.5755756E+01 3,-1 47 3 +3 -0.000700 2.499312 0.042250 Rho 0.3928552E-02 |GRAD(Rho)| 0.1353496E-12 GRAD(Rho)x 0.6213085E-13 GRAD(Rho)y 0.3191257E-13 GRAD(Rho)z 0.1159347E-12 Laplacian 0.1607324E-01 (-1/4)Del**2(Rho)) -0.4018311E-02 Diamond 0.1569920E-03 Metallicity 0.4193376E+00 Ellipticity -0.5027629E+00 Gb(Abramov) 0.2959712E-02 Vb(Abramov) -0.1901113E-02 Hb(Abramov) 0.1058599E-02 Ex_ueg -0.4578203E-03 Ec_ueg -0.1010995E-03 Delta_ex -0.6173156E-03 Delta_ec 0.2451909E-03 Delta_et -0.1345904E-02 Pxc 0.4528414E+01 Qxc -0.2517694E+01 3,+3 48 3 +1 -1.870513 2.000529 2.006052 Rho 0.1217433E-01 |GRAD(Rho)| 0.1677629E-16 GRAD(Rho)x -0.5290890E-17 GRAD(Rho)y 0.4120880E-17 GRAD(Rho)z -0.1537754E-16 Laplacian 0.5136320E-01 (-1/4)Del**2(Rho)) -0.1284080E-01 Diamond 0.1595115E-02 Metallicity 0.8643766E+00 Ellipticity -0.1140005E+01 Gb(Abramov) 0.1041041E-01 Vb(Abramov) -0.7980029E-02 Hb(Abramov) 0.2430386E-02 Ex_ueg -0.2068451E-02 Ec_ueg -0.4676228E-03 Delta_ex -0.2391448E-02 Delta_ec 0.4115423E-03 Delta_et -0.3291337E-02 Pxc 0.4423333E+01 Qxc -0.5810941E+01 3,+1 49 3 -1 -1.494283 1.071346 -3.884364 Rho 0.3295722E+00 |GRAD(Rho)| 0.5322876E-15 GRAD(Rho)x -0.5076158E-15 GRAD(Rho)y -0.1601608E-15 GRAD(Rho)z -0.2188733E-17 Laplacian -0.1792803E+01 (-1/4)Del**2(Rho)) 0.4482007E+00 Diamond 0.6365943E+01 Metallicity -0.6044101E+01 Ellipticity 0.4782513E-02 Gb(Abramov) 0.1526946E+00 Vb(Abramov) -0.7535898E+00 Hb(Abramov) -0.6008953E+00 Ex_ueg -0.1681328E+00 Ec_ueg -0.2085150E-01 Delta_ex 0.1810453E+00 Delta_ec 0.6177142E-01 Delta_et -0.1487056E+01 Pxc 0.8063347E+01 Qxc 0.2930890E+01 3,-1 50 3 +1 -2.075768 1.314134 1.083111 Rho 0.2908290E-01 |GRAD(Rho)| 0.5781926E-16 GRAD(Rho)x -0.5262448E-16 GRAD(Rho)y -0.2047329E-16 GRAD(Rho)z 0.1243283E-16 Laplacian 0.1177415E+00 (-1/4)Del**2(Rho)) -0.2943537E-01 Diamond 0.1961209E-01 Metallicity 0.1609706E+01 Ellipticity -0.5851544E+01 Gb(Abramov) 0.2752063E-01 Vb(Abramov) -0.2560589E-01 Hb(Abramov) 0.1914741E-02 Ex_ueg -0.6605445E-02 Ec_ueg -0.1296400E-02 Delta_ex -0.7683584E-02 Delta_ec 0.2100246E-02 Delta_et -0.1921712E-01 Pxc 0.5095222E+01 Qxc -0.3658421E+01 3,+1 51 3 +3 1.944680 -1.817780 1.970850 Rho 0.1208930E-01 |GRAD(Rho)| 0.2016461E-16 GRAD(Rho)x 0.1420611E-16 GRAD(Rho)y 0.8179271E-17 GRAD(Rho)z -0.1174298E-16 Laplacian 0.5068321E-01 (-1/4)Del**2(Rho)) -0.1267080E-01 Diamond 0.1361239E-02 Metallicity 0.8658000E+00 Ellipticity -0.9558996E+00 Gb(Abramov) 0.1027560E-01 Vb(Abramov) -0.7880394E-02 Hb(Abramov) 0.2395204E-02 Ex_ueg -0.2049210E-02 Ec_ueg -0.4636929E-03 Delta_ex -0.2298634E-02 Delta_ec 0.3051639E-03 Delta_et -0.2562341E-02 Pxc 0.4419326E+01 Qxc -0.7532457E+01 3,+3 52 3 -1 -1.596485 1.809780 0.645631 Rho 0.4110942E-01 |GRAD(Rho)| 0.6337462E-15 GRAD(Rho)x -0.5594314E-15 GRAD(Rho)y -0.2302365E-15 GRAD(Rho)z 0.1888438E-15 Laplacian 0.1569348E+00 (-1/4)Del**2(Rho)) -0.3923371E-01 Diamond 0.5894710E-01 Metallicity 0.2150120E+01 Ellipticity 0.6160652E-01 Gb(Abramov) 0.4021533E-01 Vb(Abramov) -0.4119696E-01 Hb(Abramov) -0.9816270E-03 Ex_ueg -0.1047869E-01 Ec_ueg -0.1929676E-02 Delta_ex -0.1218786E-01 Delta_ec 0.4481161E-02 Delta_et -0.4483722E-01 Pxc 0.5430283E+01 Qxc -0.2719801E+01 3,-1 53 3 +1 -0.580988 1.551340 -0.532549 Rho 0.1023354E-01 |GRAD(Rho)| 0.1334798E-13 GRAD(Rho)x 0.5783478E-14 GRAD(Rho)y -0.8561284E-14 GRAD(Rho)z 0.8451289E-14 Laplacian 0.4436294E-01 (-1/4)Del**2(Rho)) -0.1109074E-01 Diamond 0.1537741E-02 Metallicity 0.7492654E+00 Ellipticity -0.1417848E+01 Gb(Abramov) 0.8778808E-02 Vb(Abramov) -0.6466880E-02 Hb(Abramov) 0.2311928E-02 Ex_ueg -0.1640915E-02 Ec_ueg -0.3786495E-03 Delta_ex -0.2130250E-02 Delta_ec 0.6450278E-03 Delta_et -0.4593265E-02 Pxc 0.4333598E+01 Qxc -0.3302571E+01 3,+1 54 3 +1 0.553679 0.535182 1.761924 Rho 0.6887115E-02 |GRAD(Rho)| 0.1115452E-16 GRAD(Rho)x -0.4620850E-17 GRAD(Rho)y -0.5834409E-17 GRAD(Rho)z -0.8308478E-17 Laplacian 0.2772348E-01 (-1/4)Del**2(Rho)) -0.6930869E-02 Diamond 0.5814365E-03 Metallicity 0.6196708E+00 Ellipticity -0.1389568E+01 Gb(Abramov) 0.5336389E-02 Vb(Abramov) -0.3741909E-02 Hb(Abramov) 0.1594480E-02 Ex_ueg -0.9677612E-03 Ec_ueg -0.2290056E-03 Delta_ex -0.1217979E-02 Delta_ec 0.4258552E-03 Delta_et -0.2717262E-02 Pxc 0.4225927E+01 Qxc -0.2860078E+01 3,+1 55 3 +1 -0.543680 -0.572949 1.579601 Rho 0.1039891E-01 |GRAD(Rho)| 0.5212048E-17 GRAD(Rho)x -0.2703482E-17 GRAD(Rho)y -0.6542639E-18 GRAD(Rho)z -0.4407785E-17 Laplacian 0.4537240E-01 (-1/4)Del**2(Rho)) -0.1134310E-01 Diamond 0.1602363E-02 Metallicity 0.7524328E+00 Ellipticity -0.1415110E+01 Gb(Abramov) 0.8984554E-02 Vb(Abramov) -0.6626007E-02 Hb(Abramov) 0.2358547E-02 Ex_ueg -0.1676366E-02 Ec_ueg -0.3861709E-03 Delta_ex -0.2185865E-02 Delta_ec 0.6564689E-03 Delta_et -0.4696349E-02 Pxc 0.4340995E+01 Qxc -0.3329731E+01 3,+1 56 3 +1 -0.000010 0.035556 2.803566 Rho 0.3900784E-02 |GRAD(Rho)| 0.4352830E-13 GRAD(Rho)x 0.3010719E-13 GRAD(Rho)y -0.2837052E-13 GRAD(Rho)z -0.1354192E-13 Laplacian 0.1605443E-01 (-1/4)Del**2(Rho)) -0.4013607E-02 Diamond 0.2304790E-03 Metallicity 0.4148950E+00 Ellipticity -0.1511033E+01 Gb(Abramov) 0.2953275E-02 Vb(Abramov) -0.1892944E-02 Hb(Abramov) 0.1060331E-02 Ex_ueg -0.4535107E-03 Ec_ueg -0.9992013E-04 Delta_ex -0.7127691E-03 Delta_ec 0.4184105E-03 Delta_et -0.2144593E-02 Pxc 0.4538732E+01 Qxc -0.1703516E+01 3,+1 57 3 -1 0.317347 -0.407958 0.339016 Rho 0.1813156E+00 |GRAD(Rho)| 0.1531348E-10 GRAD(Rho)x 0.1049618E-10 GRAD(Rho)y -0.1085772E-10 GRAD(Rho)z 0.2538284E-11 Laplacian 0.5296001E+00 (-1/4)Del**2(Rho)) -0.1324000E+00 Diamond 0.1503744E+01 Metallicity 0.7557712E+01 Ellipticity 0.1028143E-01 Gb(Abramov) 0.2550402E+00 Vb(Abramov) -0.3776804E+00 Hb(Abramov) -0.1226402E+00 Ex_ueg -0.7579349E-01 Ec_ueg -0.1047747E-01 Delta_ex -0.6082946E-01 Delta_ec 0.1495637E-01 Delta_et -0.2102507E+00 Pxc 0.7233947E+01 Qxc -0.4067128E+01 3,-1 58 3 +3 0.030703 0.043375 2.511995 Rho 0.3835245E-02 |GRAD(Rho)| 0.6965634E-14 GRAD(Rho)x 0.7578415E-15 GRAD(Rho)y 0.6918878E-14 GRAD(Rho)z 0.2736090E-15 Laplacian 0.1577600E-01 (-1/4)Del**2(Rho)) -0.3943999E-02 Diamond 0.1460064E-03 Metallicity 0.4104606E+00 Ellipticity -0.4704675E+00 Gb(Abramov) 0.2899142E-02 Vb(Abramov) -0.1854285E-02 Hb(Abramov) 0.1044857E-02 Ex_ueg -0.4433797E-03 Ec_ueg -0.9713822E-04 Delta_ex -0.5983779E-03 Delta_ec 0.2331789E-03 Delta_et -0.1277946E-02 Pxc 0.4564421E+01 Qxc -0.2566175E+01 3,+3 59 3 -1 0.322195 0.319683 -0.374472 Rho 0.1809356E+00 |GRAD(Rho)| 0.2384659E-11 GRAD(Rho)x -0.1477783E-11 GRAD(Rho)y -0.1479810E-11 GRAD(Rho)z 0.1145827E-11 Laplacian 0.5267220E+00 (-1/4)Del**2(Rho)) -0.1316805E+00 Diamond 0.1493418E+01 Metallicity 0.7572487E+01 Ellipticity 0.5644962E-02 Gb(Abramov) 0.2539785E+00 Vb(Abramov) -0.3762765E+00 Hb(Abramov) -0.1222980E+00 Ex_ueg -0.7558179E-01 Ec_ueg -0.1045245E-01 Delta_ex -0.6048038E-01 Delta_ec 0.1490502E-01 Delta_et -0.2095219E+00 Pxc 0.7231010E+01 Qxc -0.4057719E+01 3,-1 60 3 +1 -0.589111 0.469537 -1.836466 Rho 0.6826851E-02 |GRAD(Rho)| 0.1338361E-15 GRAD(Rho)x 0.9367070E-16 GRAD(Rho)y 0.8469526E-17 GRAD(Rho)z 0.9521644E-16 Laplacian 0.2892374E-01 (-1/4)Del**2(Rho)) -0.7230935E-02 Diamond 0.7359752E-03 Metallicity 0.5853192E+00 Ellipticity -0.1566844E+01 Gb(Abramov) 0.5526024E-02 Vb(Abramov) -0.3821113E-02 Hb(Abramov) 0.1704911E-02 Ex_ueg -0.9564867E-03 Ec_ueg -0.2263574E-03 Delta_ex -0.1351705E-02 Delta_ec 0.5937556E-03 Delta_et -0.3661744E-02 Pxc 0.4225560E+01 Qxc -0.2276535E+01 3,+1 61 3 +3 1.108464 1.095041 1.147687 Rho 0.3954803E-02 |GRAD(Rho)| 0.1494948E-12 GRAD(Rho)x 0.1482587E-12 GRAD(Rho)y 0.1887931E-13 GRAD(Rho)z 0.3411096E-14 Laplacian 0.1598785E-01 (-1/4)Del**2(Rho)) -0.3996963E-02 Diamond 0.9148327E-04 Metallicity 0.4262827E+00 Ellipticity -0.9748275E-01 Gb(Abramov) 0.2948615E-02 Vb(Abramov) -0.1900266E-02 Hb(Abramov) 0.1048348E-02 Ex_ueg -0.4619037E-03 Ec_ueg -0.1022148E-03 Delta_ex -0.5310888E-03 Delta_ec 0.9411343E-04 Delta_et -0.6449526E-03 Pxc 0.4518954E+01 Qxc -0.5643071E+01 3,+3 62 3 -1 2.823511 -1.983696 0.745735 Rho 0.1053513E+00 |GRAD(Rho)| 0.2035182E-15 GRAD(Rho)x 0.5062547E-16 GRAD(Rho)y -0.9199117E-16 GRAD(Rho)z 0.1743397E-15 Laplacian 0.4177710E+00 (-1/4)Del**2(Rho)) -0.1044428E+00 Diamond 0.5587146E+00 Metallicity 0.3876213E+01 Ellipticity 0.1504242E-01 Gb(Abramov) 0.1371022E+00 Vb(Abramov) -0.1697617E+00 Hb(Abramov) -0.3265948E-01 Ex_ueg -0.3674836E-01 Ec_ueg -0.5650337E-02 Delta_ex -0.4129826E-01 Delta_ec 0.1166956E-01 Delta_et -0.1466486E+00 Pxc 0.6503748E+01 Qxc -0.3538974E+01 3,-1 63 3 +1 1.965026 -1.840640 1.989216 Rho 0.1208987E-01 |GRAD(Rho)| 0.1345022E-13 GRAD(Rho)x -0.9063036E-14 GRAD(Rho)y 0.6810440E-14 GRAD(Rho)z -0.7237938E-14 Laplacian 0.5078448E-01 (-1/4)Del**2(Rho)) -0.1269612E-01 Diamond 0.1446832E-02 Metallicity 0.8641410E+00 Ellipticity -0.1040465E+01 Gb(Abramov) 0.1029262E-01 Vb(Abramov) -0.7889120E-02 Hb(Abramov) 0.2403501E-02 Ex_ueg -0.2049338E-02 Ec_ueg -0.4637191E-03 Delta_ex -0.2326944E-02 Delta_ec 0.3480628E-03 Delta_et -0.2852789E-02 Pxc 0.4419353E+01 Qxc -0.6685413E+01 3,+1 64 3 -1 1.582367 -2.984209 -0.580014 Rho 0.1686090E+00 |GRAD(Rho)| 0.5892641E-15 GRAD(Rho)x 0.1034329E-15 GRAD(Rho)y -0.9829648E-16 GRAD(Rho)z 0.5717269E-15 Laplacian 0.6717033E+00 (-1/4)Del**2(Rho)) -0.1679258E+00 Diamond 0.1598453E+01 Metallicity 0.5279228E+01 Ellipticity 0.1294925E+00 Gb(Abramov) 0.2597037E+00 Vb(Abramov) -0.3514815E+00 Hb(Abramov) -0.9177784E-01 Ex_ueg -0.6879541E-01 Ec_ueg -0.9645216E-02 Delta_ex -0.7452744E-01 Delta_ec 0.1703275E-01 Delta_et -0.2315048E+00 Pxc 0.7132595E+01 Qxc -0.4375537E+01 3,-1 65 3 -1 1.772794 -2.950814 0.854385 Rho 0.1299700E+00 |GRAD(Rho)| 0.3006938E-13 GRAD(Rho)x 0.1953949E-13 GRAD(Rho)y -0.2158224E-13 GRAD(Rho)z -0.7522168E-14 Laplacian 0.5036245E+00 (-1/4)Del**2(Rho)) -0.1259061E+00 Diamond 0.8748892E+00 Metallicity 0.4562941E+01 Ellipticity 0.1879834E-01 Gb(Abramov) 0.1796878E+00 Vb(Abramov) -0.2334695E+00 Hb(Abramov) -0.5378167E-01 Ex_ueg -0.4862309E-01 Ec_ueg -0.7173919E-02 Delta_ex -0.5241947E-01 Delta_ec 0.1357059E-01 Delta_et -0.1774152E+00 Pxc 0.6777759E+01 Qxc -0.3862727E+01 3,-1 66 3 -1 2.490517 -1.842566 -0.678381 Rho 0.1380773E+00 |GRAD(Rho)| 0.1583551E-15 GRAD(Rho)x 0.1392522E-16 GRAD(Rho)y -0.8841669E-16 GRAD(Rho)z 0.1306328E-15 Laplacian 0.5883639E+00 (-1/4)Del**2(Rho)) -0.1470910E+00 Diamond 0.1097058E+01 Metallicity 0.4320206E+01 Ellipticity 0.2967038E-01 Gb(Abramov) 0.2039712E+00 Vb(Abramov) -0.2608514E+00 Hb(Abramov) -0.5688023E-01 Ex_ueg -0.5270861E-01 Ec_ueg -0.7684716E-02 Delta_ex -0.6211465E-01 Delta_ec 0.1558529E-01 Delta_et -0.2056915E+00 Pxc 0.6858888E+01 Qxc -0.3985468E+01 3,-1 67 3 -1 2.967382 2.193746 -0.724093 Rho 0.1006227E+00 |GRAD(Rho)| 0.5118200E-14 GRAD(Rho)x 0.2295798E-14 GRAD(Rho)y -0.4015583E-14 GRAD(Rho)z -0.2190976E-14 Laplacian 0.4056207E+00 (-1/4)Del**2(Rho)) -0.1014052E+00 Diamond 0.5121488E+00 Metallicity 0.3698166E+01 Ellipticity 0.2423526E-01 Gb(Abramov) 0.1301057E+00 Vb(Abramov) -0.1588061E+00 Hb(Abramov) -0.2870048E-01 Ex_ueg -0.3456579E-01 Ec_ueg -0.5362790E-02 Delta_ex -0.3965180E-01 Delta_ec 0.1141265E-01 Delta_et -0.1420878E+00 Pxc 0.6445486E+01 Qxc -0.3474374E+01 3,-1 68 3 -1 2.745648 2.006200 0.597623 Rho 0.1221786E+00 |GRAD(Rho)| 0.2472042E-15 GRAD(Rho)x -0.7036472E-16 GRAD(Rho)y 0.1813735E-15 GRAD(Rho)z -0.1525201E-15 Laplacian 0.5104119E+00 (-1/4)Del**2(Rho)) -0.1276030E+00 Diamond 0.8227602E+00 Metallicity 0.4061481E+01 Ellipticity 0.3734214E-01 Gb(Abramov) 0.1714448E+00 Vb(Abramov) -0.2152867E+00 Hb(Abramov) -0.4384186E-01 Ex_ueg -0.4477601E-01 Ec_ueg -0.6687135E-02 Delta_ex -0.5234211E-01 Delta_ec 0.1394402E-01 Delta_et -0.1803521E+00 Pxc 0.6695844E+01 Qxc -0.3753732E+01 3,-1 69 3 +1 2.159134 1.429998 -0.984601 Rho 0.2136344E-01 |GRAD(Rho)| 0.1864355E-14 GRAD(Rho)x 0.1103029E-15 GRAD(Rho)y 0.1541630E-14 GRAD(Rho)z 0.1042607E-14 Laplacian 0.7488028E-01 (-1/4)Del**2(Rho)) -0.1872007E-01 Diamond 0.6536390E-02 Metallicity 0.1513670E+01 Ellipticity -0.2272617E+01 Gb(Abramov) 0.1720271E-01 Vb(Abramov) -0.1568536E-01 Hb(Abramov) 0.1517357E-02 Ex_ueg -0.4378043E-02 Ec_ueg -0.9074223E-03 Delta_ex -0.4285490E-02 Delta_ec 0.9472220E-03 Delta_et -0.8150266E-02 Pxc 0.4824703E+01 Qxc -0.4524271E+01 3,+1 70 3 -1 2.037532 0.594501 2.755010 Rho 0.1080691E+00 |GRAD(Rho)| 0.1316585E-15 GRAD(Rho)x -0.1679836E-16 GRAD(Rho)y -0.1181577E-15 GRAD(Rho)z -0.5559247E-16 Laplacian 0.4465727E+00 (-1/4)Del**2(Rho)) -0.1116432E+00 Diamond 0.6131756E+00 Metallicity 0.3783470E+01 Ellipticity 0.3511380E-01 Gb(Abramov) 0.1448286E+00 Vb(Abramov) -0.1780139E+00 Hb(Abramov) -0.3318538E-01 Ex_ueg -0.3801782E-01 Ec_ueg -0.5816390E-02 Delta_ex -0.4436826E-01 Delta_ec 0.1232965E-01 Delta_et -0.1556045E+00 Pxc 0.6536325E+01 Qxc -0.3598502E+01 3,-1 71 3 +1 1.513866 -0.944505 2.169022 Rho 0.1920586E-01 |GRAD(Rho)| 0.3798134E-12 GRAD(Rho)x 0.1982055E-12 GRAD(Rho)y -0.8312810E-13 GRAD(Rho)z 0.3131494E-12 Laplacian 0.6710155E-01 (-1/4)Del**2(Rho)) -0.1677539E-01 Diamond 0.4749936E-02 Metallicity 0.1414502E+01 Ellipticity -0.1928416E+01 Gb(Abramov) 0.1513840E-01 Vb(Abramov) -0.1350140E-01 Hb(Abramov) 0.1636993E-02 Ex_ueg -0.3798657E-02 Ec_ueg -0.8016642E-03 Delta_ex -0.3682468E-02 Delta_ec 0.7645348E-03 Delta_et -0.6466732E-02 Pxc 0.4738464E+01 Qxc -0.4816613E+01 3,+1 72 3 -1 1.839675 -0.466847 1.633992 Rho 0.2967090E-01 |GRAD(Rho)| 0.5132851E-16 GRAD(Rho)x 0.3119855E-16 GRAD(Rho)y 0.7509953E-17 GRAD(Rho)z 0.4006079E-16 Laplacian 0.1148958E+00 (-1/4)Del**2(Rho)) -0.2872395E-01 Diamond 0.2781605E-01 Metallicity 0.1705533E+01 Ellipticity 0.1911643E+00 Gb(Abramov) 0.2731425E-01 Vb(Abramov) -0.2590454E-01 Hb(Abramov) 0.1409707E-02 Ex_ueg -0.6784108E-02 Ec_ueg -0.1326645E-02 Delta_ex -0.8241997E-02 Delta_ec 0.3306087E-02 Delta_et -0.3027928E-01 Pxc 0.5113735E+01 Qxc -0.2492976E+01 3,-1 73 3 -1 -2.044597 -0.991735 0.109745 Rho 0.7503967E-02 |GRAD(Rho)| 0.5347799E-15 GRAD(Rho)x 0.4269986E-15 GRAD(Rho)y 0.3080010E-15 GRAD(Rho)z 0.9379310E-16 Laplacian 0.3119723E-01 (-1/4)Del**2(Rho)) -0.7799307E-02 Diamond 0.1731507E-02 Metallicity 0.6353045E+00 Ellipticity 0.3112490E+00 Gb(Abramov) 0.6025361E-02 Vb(Abramov) -0.4251414E-02 Hb(Abramov) 0.1773947E-02 Ex_ueg -0.1085025E-02 Ec_ueg -0.2562107E-03 Delta_ex -0.1938136E-02 Delta_ec 0.1440565E-02 Delta_et -0.8660704E-02 Pxc 0.4234892E+01 Qxc -0.1345399E+01 3,-1 74 3 -1 -2.937664 -0.597179 1.637300 Rho 0.1668673E+00 |GRAD(Rho)| 0.5397508E-14 GRAD(Rho)x 0.1436541E-14 GRAD(Rho)y 0.5169747E-14 GRAD(Rho)z 0.5857944E-15 Laplacian 0.6634631E+00 (-1/4)Del**2(Rho)) -0.1658658E+00 Diamond 0.1559691E+01 Metallicity 0.5253091E+01 Ellipticity 0.1308077E+00 Gb(Abramov) 0.2557952E+00 Vb(Abramov) -0.3457246E+00 Hb(Abramov) -0.8992940E-01 Ex_ueg -0.6784948E-01 Ec_ueg -0.9531864E-02 Delta_ex -0.7342741E-01 Delta_ec 0.1687455E-01 Delta_et -0.2290691E+00 Pxc 0.7118175E+01 Qxc -0.4351370E+01 3,-1 75 3 +1 -1.853000 -0.637881 0.447878 Rho 0.6654262E-02 |GRAD(Rho)| 0.9106744E-16 GRAD(Rho)x 0.4125272E-16 GRAD(Rho)y -0.3207536E-16 GRAD(Rho)z -0.7458326E-16 Laplacian 0.2842092E-01 (-1/4)Del**2(Rho)) -0.7105229E-02 Diamond 0.7513056E-03 Metallicity 0.5707881E+00 Ellipticity -0.1669811E+01 Gb(Abramov) 0.5412749E-02 Vb(Abramov) -0.3720270E-02 Hb(Abramov) 0.1692480E-02 Ex_ueg -0.9243822E-03 Ec_ueg -0.2187826E-03 Delta_ex -0.1353923E-02 Delta_ec 0.6431639E-03 Delta_et -0.3902482E-02 Pxc 0.4225117E+01 Qxc -0.2105098E+01 3,+1 76 3 +1 -0.002132 2.761661 0.006757 Rho 0.3977511E-02 |GRAD(Rho)| 0.5300039E-17 GRAD(Rho)x -0.4551660E-17 GRAD(Rho)y 0.9305602E-18 GRAD(Rho)z -0.2550856E-17 Laplacian 0.1627392E-01 (-1/4)Del**2(Rho)) -0.4068480E-02 Diamond 0.2369000E-03 Metallicity 0.4228049E+00 Ellipticity -0.1495143E+01 Gb(Abramov) 0.2999016E-02 Vb(Abramov) -0.1929551E-02 Hb(Abramov) 0.1069464E-02 Ex_ueg -0.4654435E-03 Ec_ueg -0.1031798E-03 Delta_ex -0.7216282E-03 Delta_ec 0.4175493E-03 Delta_et -0.2155825E-02 Pxc 0.4510992E+01 Qxc -0.1728247E+01 3,+1 77 3 +1 -0.946585 2.144331 1.519990 Rho 0.1883233E-01 |GRAD(Rho)| 0.4808342E-16 GRAD(Rho)x 0.5518936E-17 GRAD(Rho)y -0.4620023E-16 GRAD(Rho)z -0.1212831E-16 Laplacian 0.6565931E-01 (-1/4)Del**2(Rho)) -0.1641483E-01 Diamond 0.4522763E-02 Metallicity 0.1399018E+01 Ellipticity -0.1915422E+01 Gb(Abramov) 0.1477066E-01 Vb(Abramov) -0.1312649E-01 Hb(Abramov) 0.1644169E-02 Ex_ueg -0.3700471E-02 Ec_ueg -0.7834994E-03 Delta_ex -0.3583704E-02 Delta_ec 0.7479854E-03 Delta_et -0.6299855E-02 Pxc 0.4723004E+01 Qxc -0.4791142E+01 3,+1 78 3 -1 -0.712664 2.983343 2.228472 Rho 0.8709802E-01 |GRAD(Rho)| 0.6755741E-13 GRAD(Rho)x -0.4411449E-13 GRAD(Rho)y 0.3582292E-13 GRAD(Rho)z -0.3653265E-13 Laplacian 0.3475937E+00 (-1/4)Del**2(Rho)) -0.8689843E-01 Diamond 0.3649852E+00 Metallicity 0.3392775E+01 Ellipticity 0.2302695E-01 Gb(Abramov) 0.1070701E+00 Vb(Abramov) -0.1272417E+00 Hb(Abramov) -0.2017166E-01 Ex_ueg -0.2851430E-01 Ec_ueg -0.4550367E-02 Delta_ex -0.3279328E-01 Delta_ec 0.9953655E-02 Delta_et -0.1201322E+00 Pxc 0.6266374E+01 Qxc -0.3294597E+01 3,-1 79 3 -1 0.094845 -2.095500 -0.976830 Rho 0.7740557E-02 |GRAD(Rho)| 0.6454226E-15 GRAD(Rho)x 0.2040248E-15 GRAD(Rho)y 0.4879215E-15 GRAD(Rho)z 0.3699687E-15 Laplacian 0.3232161E-01 (-1/4)Del**2(Rho)) -0.8080404E-02 Diamond 0.1875809E-02 Metallicity 0.6457640E+00 Ellipticity 0.2717808E+00 Gb(Abramov) 0.6256608E-02 Vb(Abramov) -0.4432812E-02 Hb(Abramov) 0.1823796E-02 Ex_ueg -0.1130875E-02 Ec_ueg -0.2666919E-03 Delta_ex -0.2021948E-02 Delta_ec 0.1497537E-02 Delta_et -0.9088572E-02 Pxc 0.4240381E+01 Qxc -0.1350183E+01 3,-1 80 3 -1 -0.442223 -1.764657 2.806056 Rho 0.1588992E+00 |GRAD(Rho)| 0.1888889E-15 GRAD(Rho)x 0.2084379E-16 GRAD(Rho)y 0.1790560E-15 GRAD(Rho)z -0.5642256E-16 Laplacian 0.6816728E+00 (-1/4)Del**2(Rho)) -0.1704182E+00 Diamond 0.1478625E+01 Metallicity 0.4712376E+01 Ellipticity 0.1803134E-01 Gb(Abramov) 0.2474579E+00 Vb(Abramov) -0.3244976E+00 Hb(Abramov) -0.7703970E-01 Ex_ueg -0.6356439E-01 Ec_ueg -0.9015601E-02 Delta_ex -0.7423721E-01 Delta_ec 0.1701811E-01 Delta_et -0.2282279E+00 Pxc 0.7050488E+01 Qxc -0.4362248E+01 3,-1 81 3 -1 0.630511 -1.584292 1.844671 Rho 0.4227014E-01 |GRAD(Rho)| 0.7046388E-12 GRAD(Rho)x -0.5450085E-13 GRAD(Rho)y 0.6585161E-12 GRAD(Rho)z -0.2447490E-12 Laplacian 0.1621463E+00 (-1/4)Del**2(Rho)) -0.4053657E-01 Diamond 0.6331092E-01 Metallicity 0.2179862E+01 Ellipticity 0.5562759E-01 Gb(Abramov) 0.4175174E-01 Vb(Abramov) -0.4296690E-01 Hb(Abramov) -0.1215164E-02 Ex_ueg -0.1087502E-01 Ec_ueg -0.1992276E-02 Delta_ex -0.1268378E-01 Delta_ec 0.4634347E-02 Delta_et -0.4671443E-01 Pxc 0.5458590E+01 Qxc -0.2736907E+01 3,-1 82 3 +1 0.501287 1.737389 0.589190 Rho 0.7312210E-02 |GRAD(Rho)| 0.8474506E-17 GRAD(Rho)x 0.4887334E-17 GRAD(Rho)y 0.6505469E-17 GRAD(Rho)z 0.2368562E-17 Laplacian 0.2973802E-01 (-1/4)Del**2(Rho)) -0.7434505E-02 Diamond 0.6631443E-03 Metallicity 0.6383352E+00 Ellipticity -0.1381012E+01 Gb(Abramov) 0.5747288E-02 Vb(Abramov) -0.4060071E-02 Hb(Abramov) 0.1687217E-02 Ex_ueg -0.1048214E-02 Ec_ueg -0.2477346E-03 Delta_ex -0.1318278E-02 Delta_ec 0.4434368E-03 Delta_et -0.2885217E-02 Pxc 0.4231197E+01 Qxc -0.2972867E+01 3,+1 83 3 -1 -0.459130 1.613546 1.845930 Rho 0.2917752E-01 |GRAD(Rho)| 0.2285719E-16 GRAD(Rho)x 0.7551352E-17 GRAD(Rho)y -0.1925428E-16 GRAD(Rho)z -0.9731456E-17 Laplacian 0.1126450E+00 (-1/4)Del**2(Rho)) -0.2816125E-01 Diamond 0.2668862E-01 Metallicity 0.1691669E+01 Ellipticity 0.1925211E+00 Gb(Abramov) 0.2671408E-01 Vb(Abramov) -0.2526692E-01 Hb(Abramov) 0.1447166E-02 Ex_ueg -0.6634115E-02 Ec_ueg -0.1301261E-02 Delta_ex -0.8050441E-02 Delta_ec 0.3246716E-02 Delta_et -0.2959757E-01 Pxc 0.5098218E+01 Qxc -0.2479564E+01 3,-1 84 3 +1 0.458400 -1.883113 -0.608800 Rho 0.6709413E-02 |GRAD(Rho)| 0.1745594E-14 GRAD(Rho)x -0.1047904E-14 GRAD(Rho)y -0.1128187E-14 GRAD(Rho)z 0.8223078E-15 Laplacian 0.2808803E-01 (-1/4)Del**2(Rho)) -0.7022009E-02 Diamond 0.7094083E-03 Metallicity 0.5855527E+00 Ellipticity -0.1603591E+01 Gb(Abramov) 0.5366632E-02 Vb(Abramov) -0.3711255E-02 Hb(Abramov) 0.1655377E-02 Ex_ueg -0.9346114E-03 Ec_ueg -0.2212016E-03 Delta_ex -0.1314535E-02 Delta_ec 0.5892311E-03 Delta_et -0.3608642E-02 Pxc 0.4225156E+01 Qxc -0.2230932E+01 3,+1 85 3 +1 1.063639 -2.074596 1.338138 Rho 0.2949487E-01 |GRAD(Rho)| 0.5443686E-16 GRAD(Rho)x 0.1392327E-16 GRAD(Rho)y 0.4523968E-16 GRAD(Rho)z -0.2688654E-16 Laplacian 0.1197706E+00 (-1/4)Del**2(Rho)) -0.2994265E-01 Diamond 0.2036280E-01 Metallicity 0.1619970E+01 Ellipticity -0.6044843E+01 Gb(Abramov) 0.2804613E-01 Vb(Abramov) -0.2614962E-01 Hb(Abramov) 0.1896518E-02 Ex_ueg -0.6730494E-02 Ec_ueg -0.1317581E-02 Delta_ex -0.7847462E-02 Delta_ec 0.2139959E-02 Delta_et -0.1964702E-01 Pxc 0.5108219E+01 Qxc -0.3667109E+01 3,+1 86 3 -1 1.113830 -1.794133 3.238108 Rho 0.2039093E+00 |GRAD(Rho)| 0.2349566E-15 GRAD(Rho)x -0.2133710E-15 GRAD(Rho)y 0.9340402E-16 GRAD(Rho)z 0.3087266E-16 Laplacian 0.7593020E+00 (-1/4)Del**2(Rho)) -0.1898255E+00 Diamond 0.2249903E+01 Metallicity 0.6411020E+01 Ellipticity 0.5472255E-01 Gb(Abramov) 0.3293795E+00 Vb(Abramov) -0.4689335E+00 Hb(Abramov) -0.1395540E+00 Ex_ueg -0.8864098E-01 Ec_ueg -0.1198006E-01 Delta_ex -0.8823273E-01 Delta_ec 0.1807561E-01 Delta_et -0.2499435E+00 Pxc 0.7399045E+01 Qxc -0.4881315E+01 3,-1 87 3 +1 1.820901 1.818819 1.829416 Rho 0.1175416E-01 |GRAD(Rho)| 0.1674903E-16 GRAD(Rho)x -0.8363578E-17 GRAD(Rho)y -0.1192426E-17 GRAD(Rho)z 0.1446232E-16 Laplacian 0.5867446E-01 (-1/4)Del**2(Rho)) -0.1466861E-01 Diamond 0.2313675E-02 Metallicity 0.7136465E+00 Ellipticity -0.1255515E+01 Gb(Abramov) 0.1152378E-01 Vb(Abramov) -0.8378940E-02 Hb(Abramov) 0.3144837E-02 Ex_ueg -0.1973817E-02 Ec_ueg -0.4482319E-03 Delta_ex -0.2876845E-02 Delta_ec 0.7766425E-03 Delta_et -0.5782395E-02 Pxc 0.4403563E+01 Qxc -0.3704207E+01 3,+1 88 3 +1 1.269600 2.114170 -0.984949 Rho 0.2814162E-01 |GRAD(Rho)| 0.6826765E-16 GRAD(Rho)x -0.1623435E-17 GRAD(Rho)y -0.6697033E-16 GRAD(Rho)z 0.1314575E-16 Laplacian 0.1117467E+00 (-1/4)Del**2(Rho)) -0.2793667E-01 Diamond 0.1756904E-01 Metallicity 0.1605562E+01 Ellipticity -0.5264422E+01 Gb(Abramov) 0.2610012E-01 Vb(Abramov) -0.2426357E-01 Hb(Abramov) 0.1836549E-02 Ex_ueg -0.6321941E-02 Ec_ueg -0.1248154E-02 Delta_ex -0.7208077E-02 Delta_ec 0.1956833E-02 Delta_et -0.1776703E-01 Pxc 0.5065032E+01 Qxc -0.3683542E+01 3,+1 89 3 -1 1.613952 1.812933 -0.434902 Rho 0.3594854E-01 |GRAD(Rho)| 0.3613806E-16 GRAD(Rho)x -0.9969366E-17 GRAD(Rho)y -0.2094014E-16 GRAD(Rho)z -0.2771428E-16 Laplacian 0.1329681E+00 (-1/4)Del**2(Rho)) -0.3324204E-01 Diamond 0.4072596E-01 Metallicity 0.2029244E+01 Ellipticity 0.1059329E+00 Gb(Abramov) 0.3340406E-01 Vb(Abramov) -0.3356608E-01 Hb(Abramov) -0.1620213E-03 Ex_ueg -0.8762473E-02 Ec_ueg -0.1654328E-02 Delta_ex -0.9927673E-02 Delta_ec 0.3694241E-02 Delta_et -0.3565261E-01 Pxc 0.5296697E+01 Qxc -0.2687337E+01 3,-1 90 3 +3 2.560557 0.001372 0.044747 Rho 0.3742577E-02 |GRAD(Rho)| 0.2890846E-17 GRAD(Rho)x 0.1888403E-17 GRAD(Rho)y 0.1342958E-17 GRAD(Rho)z -0.1728407E-17 Laplacian 0.1549160E-01 (-1/4)Del**2(Rho)) -0.3872900E-02 Diamond 0.1563728E-03 Metallicity 0.4012991E+00 Ellipticity -0.7226466E+00 Gb(Abramov) 0.2840965E-02 Vb(Abramov) -0.1809030E-02 Hb(Abramov) 0.1031935E-02 Ex_ueg -0.4291536E-03 Ec_ueg -0.9320870E-04 Delta_ex -0.6084042E-03 Delta_ec 0.2720329E-03 Delta_et -0.1443086E-02 Pxc 0.4604223E+01 Qxc -0.2236510E+01 3,+3 91 3 +1 1.746521 0.536537 0.571787 Rho 0.7083865E-02 |GRAD(Rho)| 0.9714053E-17 GRAD(Rho)x -0.5308291E-17 GRAD(Rho)y 0.1351665E-17 GRAD(Rho)z -0.8022336E-17 Laplacian 0.2877308E-01 (-1/4)Del**2(Rho)) -0.7193269E-02 Diamond 0.6182454E-03 Metallicity 0.6257641E+00 Ellipticity -0.1376895E+01 Gb(Abramov) 0.5545727E-02 Vb(Abramov) -0.3898186E-02 Hb(Abramov) 0.1647541E-02 Ex_ueg -0.1004798E-02 Ec_ueg -0.2376636E-03 Delta_ex -0.1267725E-02 Delta_ec 0.4328877E-03 Delta_et -0.2790018E-02 Pxc 0.4227816E+01 Qxc -0.2928530E+01 3,+1 92 3 -1 1.807650 0.623473 -1.566639 Rho 0.4157948E-01 |GRAD(Rho)| 0.3680832E-16 GRAD(Rho)x -0.2689181E-16 GRAD(Rho)y 0.1564205E-16 GRAD(Rho)z -0.1967255E-16 Laplacian 0.1585711E+00 (-1/4)Del**2(Rho)) -0.3964278E-01 Diamond 0.6029292E-01 Metallicity 0.2168640E+01 Ellipticity 0.5498253E-01 Gb(Abramov) 0.4075700E-01 Vb(Abramov) -0.4187123E-01 Hb(Abramov) -0.1114229E-02 Ex_ueg -0.1063875E-01 Ec_ueg -0.1954999E-02 Delta_ex -0.1233920E-01 Delta_ec 0.4508111E-02 Delta_et -0.4524036E-01 Pxc 0.5441817E+01 Qxc -0.2737112E+01 3,-1 93 3 +1 1.526415 -0.559768 -0.562774 Rho 0.1063646E-01 |GRAD(Rho)| 0.2016751E-16 GRAD(Rho)x 0.4421990E-17 GRAD(Rho)y 0.1010721E-16 GRAD(Rho)z -0.1688249E-16 Laplacian 0.4620359E-01 (-1/4)Del**2(Rho)) -0.1155090E-01 Diamond 0.1685128E-02 Metallicity 0.7672427E+00 Ellipticity -0.1427661E+01 Gb(Abramov) 0.9177656E-02 Vb(Abramov) -0.6804413E-02 Hb(Abramov) 0.2373242E-02 Ex_ueg -0.1727619E-02 Ec_ueg -0.3969950E-03 Delta_ex -0.2239613E-02 Delta_ec 0.6698717E-03 Delta_et -0.4818956E-02 Pxc 0.4351741E+01 Qxc -0.3343347E+01 3,+1 94 3 -1 2.109758 0.874497 -2.847104 Rho 0.1737778E+00 |GRAD(Rho)| 0.1212350E-12 GRAD(Rho)x 0.9075284E-13 GRAD(Rho)y -0.5588021E-13 GRAD(Rho)z 0.5778632E-13 Laplacian 0.6760376E+00 (-1/4)Del**2(Rho)) -0.1690094E+00 Diamond 0.1645400E+01 Metallicity 0.5516107E+01 Ellipticity 0.5104668E-01 Gb(Abramov) 0.2680519E+00 Vb(Abramov) -0.3670944E+00 Hb(Abramov) -0.9904252E-01 Ex_ueg -0.7162160E-01 Ec_ueg -0.9982632E-02 Delta_ex -0.7538725E-01 Delta_ec 0.1667817E-01 Delta_et -0.2266112E+00 Pxc 0.7174621E+01 Qxc -0.4520117E+01 3,-1 95 3 -1 2.734362 -0.472684 -1.775296 Rho 0.1572469E+00 |GRAD(Rho)| 0.3423233E-15 GRAD(Rho)x -0.6550783E-16 GRAD(Rho)y -0.1838807E-15 GRAD(Rho)z 0.2812149E-15 Laplacian 0.6754531E+00 (-1/4)Del**2(Rho)) -0.1688633E+00 Diamond 0.1447443E+01 Metallicity 0.4673635E+01 Ellipticity 0.1512728E-01 Gb(Abramov) 0.2441097E+00 Vb(Abramov) -0.3193562E+00 Hb(Abramov) -0.7524645E-01 Ex_ueg -0.6268465E-01 Ec_ueg -0.8909022E-02 Delta_ex -0.7337521E-01 Delta_ec 0.1691720E-01 Delta_et -0.2265921E+00 Pxc 0.7036086E+01 Qxc -0.4337315E+01 3,-1 96 3 +1 2.716886 -0.011869 0.033973 Rho 0.3752390E-02 |GRAD(Rho)| 0.2154375E-18 GRAD(Rho)x 0.5626069E-20 GRAD(Rho)y 0.3848044E-20 GRAD(Rho)z -0.2153297E-18 Laplacian 0.1552397E-01 (-1/4)Del**2(Rho)) -0.3880992E-02 Diamond 0.1961005E-03 Metallicity 0.4022139E+00 Ellipticity -0.1263453E+01 Gb(Abramov) 0.2847493E-02 Vb(Abramov) -0.1813994E-02 Hb(Abramov) 0.1033499E-02 Ex_ueg -0.4306545E-03 Ec_ueg -0.9362459E-04 Delta_ex -0.6629204E-03 Delta_ec 0.3670351E-03 Delta_et -0.1878528E-02 Pxc 0.4599802E+01 Qxc -0.1806150E+01 3,+1 97 3 -1 3.085733 -0.795204 1.862159 Rho 0.1672865E+00 |GRAD(Rho)| 0.7689116E-16 GRAD(Rho)x -0.4455393E-16 GRAD(Rho)y 0.5027988E-16 GRAD(Rho)z 0.3740497E-16 Laplacian 0.6393454E+00 (-1/4)Del**2(Rho)) -0.1598364E+00 Diamond 0.1471649E+01 Metallicity 0.5474096E+01 Ellipticity 0.5348143E-01 Gb(Abramov) 0.2523842E+00 Vb(Abramov) -0.3449319E+00 Hb(Abramov) -0.9254780E-01 Ex_ueg -0.6807686E-01 Ec_ueg -0.9559131E-02 Delta_ex -0.7049321E-01 Delta_ec 0.1569903E-01 Delta_et -0.2117356E+00 Pxc 0.7121658E+01 Qxc -0.4490290E+01 3,-1 98 3 -1 3.443967 0.165807 -2.967083 Rho 0.2594679E+00 |GRAD(Rho)| 0.1660311E-15 GRAD(Rho)x 0.4933120E-16 GRAD(Rho)y 0.8098990E-16 GRAD(Rho)z 0.1362842E-15 Laplacian 0.9423319E+00 (-1/4)Del**2(Rho)) -0.2355830E+00 Diamond 0.3636222E+01 Metallicity 0.7718779E+01 Ellipticity 0.5504395E-02 Gb(Abramov) 0.4601241E+00 Vb(Abramov) -0.6846652E+00 Hb(Abramov) -0.2245411E+00 Ex_ueg -0.1222259E+00 Ec_ueg -0.1579524E-01 Delta_ex -0.1160880E+00 Delta_ec 0.2012043E-01 Delta_et -0.2781782E+00 Pxc 0.7738145E+01 Qxc -0.5769655E+01 3,-1 99 3 -1 2.986876 3.479271 0.111606 Rho 0.2599706E+00 |GRAD(Rho)| 0.8120744E-14 GRAD(Rho)x -0.2706060E-14 GRAD(Rho)y -0.7562744E-14 GRAD(Rho)z 0.1195252E-14 Laplacian 0.9284552E+00 (-1/4)Del**2(Rho)) -0.2321138E+00 Diamond 0.3607699E+01 Metallicity 0.7859460E+01 Ellipticity 0.4459413E-02 Gb(Abramov) 0.4587907E+00 Vb(Abramov) -0.6854676E+00 Hb(Abramov) -0.2266769E+00 Ex_ueg -0.1225418E+00 Ec_ueg -0.1583054E-01 Delta_ex -0.1145166E+00 Delta_ec 0.1995456E-01 Delta_et -0.2765908E+00 Pxc 0.7740845E+01 Qxc -0.5738871E+01 3,-1 100 3 -1 -1.790757 2.768236 -0.435371 Rho 0.1564418E+00 |GRAD(Rho)| 0.1095581E-15 GRAD(Rho)x -0.9635847E-16 GRAD(Rho)y 0.1097755E-17 GRAD(Rho)z 0.5212302E-16 Laplacian 0.6728079E+00 (-1/4)Del**2(Rho)) -0.1682020E+00 Diamond 0.1433188E+01 Metallicity 0.4652039E+01 Ellipticity 0.1737584E-01 Gb(Abramov) 0.2425483E+00 Vb(Abramov) -0.3168947E+00 Hb(Abramov) -0.7434635E-01 Ex_ueg -0.6225707E-01 Ec_ueg -0.8857147E-02 Delta_ex -0.7299771E-01 Delta_ec 0.1687737E-01 Delta_et -0.2259180E+00 Pxc 0.7029021E+01 Qxc -0.4325183E+01 3,-1 101 3 -1 -1.811438 3.211081 1.116812 Rho 0.2058493E+00 |GRAD(Rho)| 0.3697477E-15 GRAD(Rho)x 0.2312603E-15 GRAD(Rho)y -0.1477497E-15 GRAD(Rho)z 0.2477944E-15 Laplacian 0.7663216E+00 (-1/4)Del**2(Rho)) -0.1915804E+00 Diamond 0.2295220E+01 Metallicity 0.6453337E+01 Ellipticity 0.5505906E-01 Gb(Abramov) 0.3337757E+00 Vb(Abramov) -0.4759711E+00 Hb(Abramov) -0.1421953E+00 Ex_ueg -0.8976716E-01 Ec_ueg -0.1211041E-01 Delta_ex -0.8925414E-01 Delta_ec 0.1817839E-01 Delta_et -0.2515031E+00 Pxc 0.7412400E+01 Qxc -0.4909903E+01 3,-1 102 3 -1 -0.986722 0.075154 -2.059715 Rho 0.8165900E-02 |GRAD(Rho)| 0.3769259E-16 GRAD(Rho)x 0.2080068E-16 GRAD(Rho)y 0.3375148E-18 GRAD(Rho)z 0.3143166E-16 Laplacian 0.3434661E-01 (-1/4)Del**2(Rho)) -0.8586652E-02 Diamond 0.2146902E-02 Metallicity 0.6643589E+00 Ellipticity 0.2198092E+00 Gb(Abramov) 0.6675204E-02 Vb(Abramov) -0.4763757E-02 Hb(Abramov) 0.1911448E-02 Ex_ueg -0.1214480E-02 Ec_ueg -0.2855993E-03 Delta_ex -0.2171683E-02 Delta_ec 0.1595601E-02 Delta_et -0.9843765E-02 Pxc 0.4252392E+01 Qxc -0.1361044E+01 3,-1 103 3 -1 -1.692884 0.435631 1.588826 Rho 0.5487572E-01 |GRAD(Rho)| 0.6280637E-13 GRAD(Rho)x -0.4596152E-13 GRAD(Rho)y -0.6462444E-14 GRAD(Rho)z 0.4231330E-13 Laplacian 0.2086509E+00 (-1/4)Del**2(Rho)) -0.5216273E-01 Diamond 0.1180891E+00 Metallicity 0.2617138E+01 Ellipticity 0.3192048E-01 Gb(Abramov) 0.5752800E-01 Vb(Abramov) -0.6289327E-01 Hb(Abramov) -0.5365266E-02 Ex_ueg -0.1540135E-01 Ec_ueg -0.2686107E-02 Delta_ex -0.1750907E-01 Delta_ec 0.6080428E-02 Delta_et -0.6563299E-01 Pxc 0.5733706E+01 Qxc -0.2879579E+01 3,-1 104 3 +1 -0.865484 1.383452 2.112718 Rho 0.2531312E-01 |GRAD(Rho)| 0.4315077E-15 GRAD(Rho)x 0.1054121E-15 GRAD(Rho)y -0.2251183E-15 GRAD(Rho)z -0.3527165E-15 Laplacian 0.9834732E-01 (-1/4)Del**2(Rho)) -0.2458683E-01 Diamond 0.1181137E-01 Metallicity 0.1529068E+01 Ellipticity -0.2580836E+01 Gb(Abramov) 0.2265704E-01 Vb(Abramov) -0.2072726E-01 Hb(Abramov) 0.1929786E-02 Ex_ueg -0.5489246E-02 Ec_ueg -0.1104492E-02 Delta_ex -0.6000995E-02 Delta_ec 0.1425970E-02 Delta_et -0.1267983E-01 Pxc 0.4969927E+01 Qxc -0.4208361E+01 3,+1 105 3 -1 -0.703706 2.531850 -1.811732 Rho 0.1394018E+00 |GRAD(Rho)| 0.3427575E-14 GRAD(Rho)x 0.2122339E-14 GRAD(Rho)y -0.6453036E-15 GRAD(Rho)z -0.2612954E-14 Laplacian 0.5922906E+00 (-1/4)Del**2(Rho)) -0.1480726E+00 Diamond 0.1116822E+01 Metallicity 0.4360391E+01 Ellipticity 0.3028551E-01 Gb(Abramov) 0.2063242E+00 Vb(Abramov) -0.2645757E+00 Hb(Abramov) -0.5825155E-01 Ex_ueg -0.5338379E-01 Ec_ueg -0.7768565E-02 Delta_ex -0.6267061E-01 Delta_ec 0.1564752E-01 Delta_et -0.2068112E+00 Pxc 0.6871770E+01 Qxc -0.4005148E+01 3,-1 106 3 -1 0.900639 -2.845329 2.167153 Rho 0.1685319E+00 |GRAD(Rho)| 0.2566888E-15 GRAD(Rho)x 0.1083389E-15 GRAD(Rho)y -0.2019598E-15 GRAD(Rho)z -0.1156031E-15 Laplacian 0.6568750E+00 (-1/4)Del**2(Rho)) -0.1642188E+00 Diamond 0.1544954E+01 Metallicity 0.5394284E+01 Ellipticity 0.4614921E-01 Gb(Abramov) 0.2571196E+00 Vb(Abramov) -0.3500205E+00 Hb(Abramov) -0.9290086E-01 Ex_ueg -0.6875344E-01 Ec_ueg -0.9640191E-02 Delta_ex -0.7272594E-01 Delta_ec 0.1639445E-01 Delta_et -0.2221172E+00 Pxc 0.7131959E+01 Qxc -0.4436008E+01 3,-1 107 3 +1 1.214033 1.122336 -2.063300 Rho 0.2854715E-01 |GRAD(Rho)| 0.6081531E-16 GRAD(Rho)x 0.2731138E-17 GRAD(Rho)y 0.1640361E-16 GRAD(Rho)z -0.5849756E-16 Laplacian 0.1158807E+00 (-1/4)Del**2(Rho)) -0.2897016E-01 Diamond 0.1936038E-01 Metallicity 0.1585648E+01 Ellipticity -0.7370782E+01 Gb(Abramov) 0.2696952E-01 Vb(Abramov) -0.2496889E-01 Hb(Abramov) 0.2000639E-02 Ex_ueg -0.6443702E-02 Ec_ueg -0.1268914E-02 Delta_ex -0.7574321E-02 Delta_ec 0.2155765E-02 Delta_et -0.1962509E-01 Pxc 0.5078124E+01 Qxc -0.3513519E+01 3,+1 108 3 -1 2.233771 -0.714065 2.997680 Rho 0.8974530E-01 |GRAD(Rho)| 0.2466579E-13 GRAD(Rho)x 0.2147302E-13 GRAD(Rho)y 0.1155705E-13 GRAD(Rho)z 0.3707439E-14 Laplacian 0.3574070E+00 (-1/4)Del**2(Rho)) -0.8935175E-01 Diamond 0.3892776E+00 Metallicity 0.3468457E+01 Ellipticity 0.2111893E-01 Gb(Abramov) 0.1112199E+00 Vb(Abramov) -0.1330881E+00 Hb(Abramov) -0.2186820E-01 Ex_ueg -0.2967568E-01 Ec_ueg -0.4708165E-02 Delta_ex -0.3395428E-01 Delta_ec 0.1017501E-01 Delta_et -0.1235930E+00 Pxc 0.6303024E+01 Qxc -0.3337028E+01 3,-1 109 3 +1 2.101547 -0.879425 1.392478 Rho 0.2567634E-01 |GRAD(Rho)| 0.2025599E-16 GRAD(Rho)x -0.1150853E-16 GRAD(Rho)y -0.5773717E-17 GRAD(Rho)z -0.1563723E-16 Laplacian 0.1002128E+00 (-1/4)Del**2(Rho)) -0.2505321E-01 Diamond 0.1245267E-01 Metallicity 0.1536662E+01 Ellipticity -0.2704420E+01 Gb(Abramov) 0.2311852E-01 Vb(Abramov) -0.2118384E-01 Hb(Abramov) 0.1934685E-02 Ex_ueg -0.5594515E-02 Ec_ueg -0.1122827E-02 Delta_ex -0.6157355E-02 Delta_ec 0.1486330E-02 Delta_et -0.1325146E-01 Pxc 0.4982528E+01 Qxc -0.4142657E+01 3,+1 110 3 -1 -3.176373 -0.108258 3.013077 Rho 0.2640494E+00 |GRAD(Rho)| 0.9029813E-15 GRAD(Rho)x 0.7140556E-15 GRAD(Rho)y 0.1407023E-15 GRAD(Rho)z -0.5345117E-15 Laplacian 0.9822767E+00 (-1/4)Del**2(Rho)) -0.2455692E+00 Diamond 0.3878996E+01 Metallicity 0.7624090E+01 Ellipticity 0.1224097E-02 Gb(Abramov) 0.4757530E+00 Vb(Abramov) -0.7059368E+00 Hb(Abramov) -0.2301838E+00 Ex_ueg -0.1251119E+00 Ec_ueg -0.1611741E-01 Delta_ex -0.1216065E+00 Delta_ec 0.2092503E-01 Delta_et -0.2896549E+00 Pxc 0.7762533E+01 Qxc -0.5811533E+01 3,-1 111 3 +3 -1.779916 1.928343 1.926174 Rho 0.1213981E-01 |GRAD(Rho)| 0.3289011E-13 GRAD(Rho)x 0.1913835E-13 GRAD(Rho)y -0.1649772E-13 GRAD(Rho)z -0.2105487E-13 Laplacian 0.5078371E-01 (-1/4)Del**2(Rho)) -0.1269593E-01 Diamond 0.1250953E-02 Metallicity 0.8701116E+00 Ellipticity -0.8044100E+00 Gb(Abramov) 0.1030510E-01 Vb(Abramov) -0.7914267E-02 Hb(Abramov) 0.2390830E-02 Ex_ueg -0.2060633E-02 Ec_ueg -0.4660267E-03 Delta_ex -0.2271539E-02 Delta_ec 0.2443382E-03 Delta_et -0.2154133E-02 Pxc 0.4421706E+01 Qxc -0.9296701E+01 3,+3 112 3 -1 -2.857969 2.134768 0.924245 Rho 0.1695416E+00 |GRAD(Rho)| 0.2110364E-15 GRAD(Rho)x -0.1726592E-16 GRAD(Rho)y -0.1628472E-15 GRAD(Rho)z -0.1331129E-15 Laplacian 0.6604945E+00 (-1/4)Del**2(Rho)) -0.1651236E+00 Diamond 0.1563624E+01 Metallicity 0.5418403E+01 Ellipticity 0.4640063E-01 Gb(Abramov) 0.2592001E+00 Vb(Abramov) -0.3532766E+00 Hb(Abramov) -0.9407650E-01 Ex_ueg -0.6930325E-01 Ec_ueg -0.9705982E-02 Delta_ex -0.7322685E-01 Delta_ec 0.1644407E-01 Delta_et -0.2229086E+00 Pxc 0.7140261E+01 Qxc -0.4453086E+01 3,-1 113 3 -1 -0.782517 1.862227 3.091140 Rho 0.1622567E+00 |GRAD(Rho)| 0.2373018E-15 GRAD(Rho)x 0.1592964E-15 GRAD(Rho)y 0.1645006E-15 GRAD(Rho)z 0.6226031E-16 Laplacian 0.6204830E+00 (-1/4)Del**2(Rho)) -0.1551208E+00 Diamond 0.1378278E+01 Metallicity 0.5360696E+01 Ellipticity 0.4911562E-01 Gb(Abramov) 0.2420064E+00 Vb(Abramov) -0.3288920E+00 Hb(Abramov) -0.8688561E-01 Ex_ueg -0.6536151E-01 Ec_ueg -0.9232683E-02 Delta_ex -0.6790830E-01 Delta_ec 0.1537894E-01 Delta_et -0.2067153E+00 Pxc 0.7079362E+01 Qxc -0.4415668E+01 3,-1 114 3 -1 -0.611378 1.603739 -2.929789 Rho 0.1658250E+00 |GRAD(Rho)| 0.5487064E-15 GRAD(Rho)x -0.2733274E-15 GRAD(Rho)y -0.4216191E-15 GRAD(Rho)z -0.2204725E-15 Laplacian 0.6580828E+00 (-1/4)Del**2(Rho)) -0.1645207E+00 Diamond 0.1535042E+01 Metallicity 0.5241021E+01 Ellipticity 0.1314187E+00 Gb(Abramov) 0.2533899E+00 Vb(Abramov) -0.3422590E+00 Hb(Abramov) -0.8886917E-01 Ex_ueg -0.6728501E-01 Ec_ueg -0.9464120E-02 Delta_ex -0.7271547E-01 Delta_ec 0.1675797E-01 Delta_et -0.2272872E+00 Pxc 0.7109484E+01 Qxc -0.4339158E+01 3,-1 115 3 -1 0.200386 -2.953708 3.506764 Rho 0.2589943E+00 |GRAD(Rho)| 0.2199781E-15 GRAD(Rho)x -0.6746448E-16 GRAD(Rho)y -0.2058900E-15 GRAD(Rho)z 0.3805550E-16 Laplacian 0.9420251E+00 (-1/4)Del**2(Rho)) -0.2355063E+00 Diamond 0.3627715E+01 Metallicity 0.7697818E+01 Ellipticity 0.4582005E-02 Gb(Abramov) 0.4591516E+00 Vb(Abramov) -0.6827969E+00 Hb(Abramov) -0.2236453E+00 Ex_ueg -0.1219285E+00 Ec_ueg -0.1576201E-01 Delta_ex -0.1159975E+00 Delta_ec 0.2013101E-01 Delta_et -0.2783489E+00 Pxc 0.7735596E+01 Qxc -0.5762129E+01 3,-1 116 3 -1 1.550395 -1.701897 0.456764 Rho 0.5499449E-01 |GRAD(Rho)| 0.8499144E-16 GRAD(Rho)x -0.7123928E-16 GRAD(Rho)y 0.2496630E-16 GRAD(Rho)z 0.3905372E-16 Laplacian 0.2065345E+00 (-1/4)Del**2(Rho)) -0.5163362E-01 Diamond 0.1167174E+00 Metallicity 0.2653501E+01 Ellipticity 0.3314805E-01 Gb(Abramov) 0.5725739E-01 Vb(Abramov) -0.6288116E-01 Hb(Abramov) -0.5623768E-02 Ex_ueg -0.1544581E-01 Ec_ueg -0.2692755E-02 Delta_ex -0.1732135E-01 Delta_ec 0.5983536E-02 Delta_et -0.6460951E-01 Pxc 0.5736060E+01 Qxc -0.2894834E+01 3,-1 117 3 -1 1.835146 3.062126 -0.807099 Rho 0.1695437E+00 |GRAD(Rho)| 0.7620441E-12 GRAD(Rho)x 0.4304125E-12 GRAD(Rho)y -0.1485849E-12 GRAD(Rho)z 0.6110472E-12 Laplacian 0.6581191E+00 (-1/4)Del**2(Rho)) -0.1645298E+00 Diamond 0.1553337E+01 Metallicity 0.5438071E+01 Ellipticity 0.3938096E-01 Gb(Abramov) 0.2588073E+00 Vb(Abramov) -0.3530848E+00 Hb(Abramov) -0.9427752E-01 Ex_ueg -0.6930438E-01 Ec_ueg -0.9706118E-02 Delta_ex -0.7292407E-01 Delta_ec 0.1631408E-01 Delta_et -0.2209547E+00 Pxc 0.7140278E+01 Qxc -0.4470008E+01 3,-1 118 3 -1 1.714957 2.925516 0.700235 Rho 0.1769469E+00 |GRAD(Rho)| 0.5897991E-15 GRAD(Rho)x 0.4416498E-15 GRAD(Rho)y 0.1798962E-15 GRAD(Rho)z -0.3470531E-15 Laplacian 0.7448096E+00 (-1/4)Del**2(Rho)) -0.1862024E+00 Diamond 0.1833475E+01 Metallicity 0.5159881E+01 Ellipticity 0.2903085E-01 Gb(Abramov) 0.2842653E+00 Vb(Abramov) -0.3823282E+00 Hb(Abramov) -0.9806290E-01 Ex_ueg -0.7336842E-01 Ec_ueg -0.1019028E-01 Delta_ex -0.8328047E-01 Delta_ec 0.1801644E-01 Delta_et -0.2445094E+00 Pxc 0.7199841E+01 Qxc -0.4622469E+01 3,-1 119 3 -1 -1.969902 0.746653 2.862500 Rho 0.1121065E+00 |GRAD(Rho)| 0.2270932E-12 GRAD(Rho)x 0.1875835E-12 GRAD(Rho)y 0.1058777E-12 GRAD(Rho)z -0.7192831E-13 Laplacian 0.4469535E+00 (-1/4)Del**2(Rho)) -0.1117384E+00 Diamond 0.6447871E+00 Metallicity 0.4018546E+01 Ellipticity 0.1905285E-01 Gb(Abramov) 0.1493299E+00 Vb(Abramov) -0.1869214E+00 Hb(Abramov) -0.3759152E-01 Ex_ueg -0.3992328E-01 Ec_ueg -0.6064085E-02 Delta_ex -0.4484075E-01 Delta_ec 0.1232655E-01 Delta_et -0.1567683E+00 Pxc 0.6583563E+01 Qxc -0.3637738E+01 3,-1 120 3 -1 -0.416707 -0.432278 -0.417014 Rho 0.2368625E+00 |GRAD(Rho)| 0.1150607E-13 GRAD(Rho)x 0.6279049E-14 GRAD(Rho)y 0.7028640E-14 GRAD(Rho)z 0.6600112E-14 Laplacian 0.1150038E+01 (-1/4)Del**2(Rho)) -0.2875096E+00 Diamond 0.4080043E+01 Metallicity 0.5433271E+01 Ellipticity 0.1052773E-02 Gb(Abramov) 0.4520260E+00 Vb(Abramov) -0.6165425E+00 Hb(Abramov) -0.1645164E+00 Ex_ueg -0.1082381E+00 Ec_ueg -0.1422250E-01 Delta_ex -0.1388866E+00 Delta_ec 0.2624515E-01 Delta_et -0.3665869E+00 Pxc 0.7610344E+01 Qxc -0.5291895E+01 3,-1 121 3 -1 -0.406601 0.310516 0.335625 Rho 0.1828563E+00 |GRAD(Rho)| 0.1026448E-12 GRAD(Rho)x 0.7294153E-13 GRAD(Rho)y -0.4980434E-13 GRAD(Rho)z -0.5229738E-13 Laplacian 0.5434787E+00 (-1/4)Del**2(Rho)) -0.1358697E+00 Diamond 0.1558977E+01 Metallicity 0.7469310E+01 Ellipticity 0.1009532E-01 Gb(Abramov) 0.2597219E+00 Vb(Abramov) -0.3835742E+00 Hb(Abramov) -0.1238522E+00 Ex_ueg -0.7665344E-01 Ec_ueg -0.1057902E-01 Delta_ex -0.6255329E-01 Delta_ec 0.1531737E-01 Delta_et -0.2155934E+00 Pxc 0.7245797E+01 Qxc -0.4083814E+01 3,-1 122 3 -1 0.719991 2.838027 -1.974012 Rho 0.1171931E+00 |GRAD(Rho)| 0.1555618E-15 GRAD(Rho)x 0.1439278E-16 GRAD(Rho)y 0.1488135E-15 GRAD(Rho)z -0.4297506E-16 Laplacian 0.4717645E+00 (-1/4)Del**2(Rho)) -0.1179411E+00 Diamond 0.7163857E+00 Metallicity 0.4099439E+01 Ellipticity 0.2069712E-01 Gb(Abramov) 0.1592095E+00 Vb(Abramov) -0.2004778E+00 Hb(Abramov) -0.4126836E-01 Ex_ueg -0.4235658E-01 Ec_ueg -0.6377834E-02 Delta_ex -0.4780767E-01 Delta_ec 0.1284178E-01 Delta_et -0.1645957E+00 Pxc 0.6641218E+01 Qxc -0.3722822E+01 3,-1 123 3 -1 3.182271 1.082745 -1.802244 Rho 0.1997642E+00 |GRAD(Rho)| 0.2864307E-15 GRAD(Rho)x 0.2096847E-15 GRAD(Rho)y 0.1837723E-15 GRAD(Rho)z 0.6559423E-16 Laplacian 0.7487520E+00 (-1/4)Del**2(Rho)) -0.1871880E+00 Diamond 0.2165431E+01 Metallicity 0.6282581E+01 Ellipticity 0.5262198E-01 Gb(Abramov) 0.3207960E+00 Vb(Abramov) -0.4544039E+00 Hb(Abramov) -0.1336080E+00 Ex_ueg -0.8624662E-01 Ec_ueg -0.1170224E-01 Delta_ex -0.8655900E-01 Delta_ec 0.1793488E-01 Delta_et -0.2475924E+00 Pxc 0.7370094E+01 Qxc -0.4826295E+01 3,-1 124 3 -1 2.947926 0.703047 1.737312 Rho 0.1613702E+00 |GRAD(Rho)| 0.2791359E-15 GRAD(Rho)x 0.3287504E-16 GRAD(Rho)y -0.8004123E-16 GRAD(Rho)z 0.2653856E-15 Laplacian 0.6825502E+00 (-1/4)Del**2(Rho)) -0.1706375E+00 Diamond 0.1490213E+01 Metallicity 0.4828930E+01 Ellipticity 0.3082639E-01 Gb(Abramov) 0.2510912E+00 Vb(Abramov) -0.3315448E+00 Hb(Abramov) -0.8045362E-01 Ex_ueg -0.6488579E-01 Ec_ueg -0.9175301E-02 Delta_ex -0.7445506E-01 Delta_ec 0.1668290E-01 Delta_et -0.2234260E+00 Pxc 0.7071789E+01 Qxc -0.4462956E+01 3,-1 125 3 -1 0.434074 1.577238 -1.665950 Rho 0.5079401E-01 |GRAD(Rho)| 0.5713774E-16 GRAD(Rho)x 0.4211596E-16 GRAD(Rho)y 0.1286050E-16 GRAD(Rho)z -0.3640844E-16 Laplacian 0.1902723E+00 (-1/4)Del**2(Rho)) -0.4756807E-01 Diamond 0.9649691E-01 Metallicity 0.2523046E+01 Ellipticity 0.3051382E-01 Gb(Abramov) 0.5171478E-01 Vb(Abramov) -0.5586150E-01 Hb(Abramov) -0.4146717E-02 Ex_ueg -0.1389318E-01 Ec_ueg -0.2458811E-02 Delta_ex -0.1563774E-01 Delta_ec 0.5514554E-02 Delta_et -0.5834333E-01 Pxc 0.5650367E+01 Qxc -0.2835722E+01 3,-1 126 3 -1 0.715823 1.735588 2.949439 Rho 0.1673763E+00 |GRAD(Rho)| 0.1647862E-13 GRAD(Rho)x 0.1608268E-13 GRAD(Rho)y 0.1864882E-14 GRAD(Rho)z -0.3068329E-14 Laplacian 0.7015790E+00 (-1/4)Del**2(Rho)) -0.1753947E+00 Diamond 0.1596367E+01 Metallicity 0.4992979E+01 Ellipticity 0.3517096E-01 Gb(Abramov) 0.2628869E+00 Vb(Abramov) -0.3503790E+00 Hb(Abramov) -0.8749214E-01 Ex_ueg -0.6812559E-01 Ec_ueg -0.9564972E-02 Delta_ex -0.7719689E-01 Delta_ec 0.1692403E-01 Delta_et -0.2274561E+00 Pxc 0.7122403E+01 Qxc -0.4561378E+01 3,-1 127 3 -1 0.809332 1.778435 -2.932176 Rho 0.1233001E+00 |GRAD(Rho)| 0.1410185E-14 GRAD(Rho)x -0.1145934E-14 GRAD(Rho)y 0.7847455E-15 GRAD(Rho)z 0.2441962E-15 Laplacian 0.4766174E+00 (-1/4)Del**2(Rho)) -0.1191544E+00 Diamond 0.7764650E+00 Metallicity 0.4416203E+01 Ellipticity 0.1322203E-01 Gb(Abramov) 0.1671379E+00 Vb(Abramov) -0.2151214E+00 Hb(Abramov) -0.4798352E-01 Ex_ueg -0.4532485E-01 Ec_ueg -0.6756948E-02 Delta_ex -0.4897893E-01 Delta_ec 0.1298609E-01 Delta_et -0.1682201E+00 Pxc 0.6707888E+01 Qxc -0.3771647E+01 3,-1 128 3 -1 3.512667 0.118425 2.995657 Rho 0.2491134E+00 |GRAD(Rho)| 0.1861527E-13 GRAD(Rho)x -0.1378574E-13 GRAD(Rho)y -0.2857767E-14 GRAD(Rho)z -0.1217846E-13 Laplacian 0.8658791E+00 (-1/4)Del**2(Rho)) -0.2164698E+00 Diamond 0.3235165E+01 Metallicity 0.7849062E+01 Ellipticity 0.5763407E-02 Gb(Abramov) 0.4274940E+00 Vb(Abramov) -0.6385182E+00 Hb(Abramov) -0.2110242E+00 Ex_ueg -0.1157660E+00 Ec_ueg -0.1507137E-01 Delta_ex -0.1058048E+00 Delta_ec 0.1920773E-01 Delta_et -0.2676987E+00 Pxc 0.7681189E+01 Qxc -0.5508446E+01 3,-1 129 3 -1 -2.943595 0.835865 1.819157 Rho 0.1285570E+00 |GRAD(Rho)| 0.8724357E-16 GRAD(Rho)x -0.5755081E-16 GRAD(Rho)y -0.1112662E-16 GRAD(Rho)z -0.6461845E-16 Laplacian 0.4981044E+00 (-1/4)Del**2(Rho)) -0.1245261E+00 Diamond 0.8538547E+00 Metallicity 0.4530220E+01 Ellipticity 0.1672417E-01 Gb(Abramov) 0.1770392E+00 Vb(Abramov) -0.2295522E+00 Hb(Abramov) -0.5251306E-01 Ex_ueg -0.4791957E-01 Ec_ueg -0.7085338E-02 Delta_ex -0.5170745E-01 Delta_ec 0.1345313E-01 Delta_et -0.1755502E+00 Pxc 0.6763202E+01 Qxc -0.3843526E+01 3,-1 130 3 -1 0.596426 2.744832 2.022965 Rho 0.1106754E+00 |GRAD(Rho)| 0.3844783E-14 GRAD(Rho)x -0.2121919E-14 GRAD(Rho)y -0.1186385E-14 GRAD(Rho)z 0.2978642E-14 Laplacian 0.4610812E+00 (-1/4)Del**2(Rho)) -0.1152703E+00 Diamond 0.6514678E+00 Metallicity 0.3812892E+01 Ellipticity 0.3476711E-01 Gb(Abramov) 0.1500991E+00 Vb(Abramov) -0.1849278E+00 Hb(Abramov) -0.3482877E-01 Ex_ueg -0.3924521E-01 Ec_ueg -0.5976149E-02 Delta_ex -0.4606628E-01 Delta_ec 0.1266015E-01 Delta_et -0.1604917E+00 Pxc 0.6566973E+01 Qxc -0.3638684E+01 3,-1 131 3 -1 -0.138616 2.979347 -3.179870 Rho 0.2649836E+00 |GRAD(Rho)| 0.6507669E-10 GRAD(Rho)x -0.8667469E-11 GRAD(Rho)y 0.4664329E-10 GRAD(Rho)z -0.4454496E-10 Laplacian 0.9780221E+00 (-1/4)Del**2(Rho)) -0.2445055E+00 Diamond 0.3885672E+01 Metallicity 0.7702459E+01 Ellipticity 0.6855869E-03 Gb(Abramov) 0.4768860E+00 Vb(Abramov) -0.7092665E+00 Hb(Abramov) -0.2323805E+00 Ex_ueg -0.1257024E+00 Ec_ueg -0.1618324E-01 Delta_ex -0.1212256E+00 Delta_ec 0.2086976E-01 Delta_et -0.2891866E+00 Pxc 0.7767446E+01 Qxc -0.5808669E+01 3,-1 132 3 -1 -3.874297 -1.515552 1.124659 Rho 0.3292941E+00 |GRAD(Rho)| 0.4704064E-15 GRAD(Rho)x -0.2967165E-15 GRAD(Rho)y -0.3609775E-15 GRAD(Rho)z 0.5419169E-16 Laplacian -0.1797773E+01 (-1/4)Del**2(Rho)) 0.4494433E+00 Diamond 0.6375770E+01 Metallicity -0.6018914E+01 Ellipticity 0.4593772E-02 Gb(Abramov) 0.1512312E+00 Vb(Abramov) -0.7519058E+00 Hb(Abramov) -0.6006745E+00 Ex_ueg -0.1679437E+00 Ec_ueg -0.2083089E-01 Delta_ex 0.1814921E+00 Delta_ec 0.6193399E-01 Delta_et -0.1490486E+01 Pxc 0.8062240E+01 Qxc 0.2930411E+01 3,-1 133 3 -1 0.139040 2.998982 3.498960 Rho 0.2487153E+00 |GRAD(Rho)| 0.1890184E-15 GRAD(Rho)x -0.7819808E-17 GRAD(Rho)y 0.4618701E-16 GRAD(Rho)z -0.1831217E-15 Laplacian 0.8640465E+00 (-1/4)Del**2(Rho)) -0.2160116E+00 Diamond 0.3223222E+01 Metallicity 0.7844773E+01 Ellipticity 0.4109579E-02 Gb(Abramov) 0.4264348E+00 Vb(Abramov) -0.6368579E+00 Hb(Abramov) -0.2104231E+00 Ex_ueg -0.1155195E+00 Ec_ueg -0.1504366E-01 Delta_ex -0.1055423E+00 Delta_ec 0.1918635E-01 Delta_et -0.2674333E+00 Pxc 0.7678947E+01 Qxc -0.5500906E+01 3,-1 134 3 -1 2.962045 -3.186319 -0.095309 Rho 0.2646897E+00 |GRAD(Rho)| 0.1653389E-13 GRAD(Rho)x -0.2903060E-14 GRAD(Rho)y -0.1227360E-13 GRAD(Rho)z -0.1069114E-13 Laplacian 0.9818993E+00 (-1/4)Del**2(Rho)) -0.2454748E+00 Diamond 0.3892510E+01 Metallicity 0.7657870E+01 Ellipticity 0.1437271E-02 Gb(Abramov) 0.4769523E+00 Vb(Abramov) -0.7084297E+00 Hb(Abramov) -0.2314775E+00 Ex_ueg -0.1255166E+00 Ec_ueg -0.1616252E-01 Delta_ex -0.1216548E+00 Delta_ec 0.2093179E-01 Delta_et -0.2899045E+00 Pxc 0.7765903E+01 Qxc -0.5811964E+01 3,-1 135 3 -1 1.078548 -3.945123 -1.482464 Rho 0.3289324E+00 |GRAD(Rho)| 0.8630838E-15 GRAD(Rho)x -0.2737127E-15 GRAD(Rho)y 0.7024241E-15 GRAD(Rho)z 0.4202325E-15 Laplacian -0.1803369E+01 (-1/4)Del**2(Rho)) 0.4508421E+00 Diamond 0.6386261E+01 Metallicity -0.5989259E+01 Ellipticity 0.4630480E-02 Gb(Abramov) 0.1494736E+00 Vb(Abramov) -0.7497894E+00 Hb(Abramov) -0.6003158E+00 Ex_ueg -0.1676978E+00 Ec_ueg -0.2080411E-01 Delta_ex 0.1819821E+00 Delta_ec 0.6212070E-01 Delta_et -0.1494328E+01 Pxc 0.8060800E+01 Qxc 0.2929492E+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 81 80 86 106 115 134 125 114 105 131 127 122 83 133 126 130 113 78 116 66 64 62 65 99 89 68 118 67 117 46 52 100 112 101 103 74 45 129 119 110 72 128 124 70 97 108 92 95 98 123 94 57 73 102 79 120 59 121 132 49 135 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 13 14 14 14 14 15 16 17 23 28 13 24 33 39 41 5 15 23 25 26 34 40 16 21 22 27 35 38 13 18 28 29 39 8 15 20 27 31 40 9 16 25 32 38 16 17 24 32 35 37 13 19 20 22 29 33 15 18 30 31 34 36 17 23 28 36 36 36 43 42 44 2.451338 1.883433 1.803429 1.875793 1.714858 1.706476 2.381327 1.885477 1.935798 1.706058 2.000577 2.021365 2.598878 1.704027 1.841879 2.008436 1.868415 2.112706 2.347282 1.939406 1.877472 2.065408 1.979793 1.714183 2.527490 1.992135 1.845235 2.075783 1.875496 1.715073 2.463495 1.889179 1.873504 1.799757 2.345776 1.882254 1.942241 1.984043 2.040041 1.707277 2.591232 1.703415 1.855055 2.019122 1.856356 2.100726 2.461044 1.887474 1.714224 1.810634 1.863827 1.606815 3.026339 2.977754 3.005668 1.483038 1.607744 1.602763 0.981247 0.981138 0.981415 2.452613 1.883630 1.803779 1.876293 1.714874 1.706505 2.382681 1.886648 1.936018 1.706079 2.001573 2.022144 2.599828 1.704035 1.842481 2.008830 1.869159 2.113989 2.348656 1.939635 1.878759 2.066195 1.980735 1.714190 2.528359 1.992455 1.845715 2.076807 1.876079 1.715087 2.464763 1.889353 1.874007 1.800090 2.347203 1.883480 1.942469 1.984978 2.040820 1.707304 2.592164 1.703423 1.855632 2.019549 1.857107 2.101988 2.462282 1.887653 1.714239 1.811008 1.864335 1.606851 3.035306 2.984633 3.013916 1.483037 1.607802 1.602794 0.981505 0.981399 0.981675 30 29 24 23 23 20 27 23 23 21 24 25 29 20 22 23 23 25 27 23 23 25 23 21 29 25 23 25 25 21 29 23 24 28 29 24 23 23 24 21 32 20 23 28 23 25 29 23 21 23 24 23 33 33 33 20 22 22 20 21 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 W O W Mo W W W O O W Mo W O O O O O O O O O O O O O O O O O O O O O O O P O O O O O H H H 2.5822 -0.6564 2.5705 2.3939 2.5613 2.5275 2.5804 -0.6898 -0.6950 2.5597 2.3874 2.5935 -1.0777 -0.8107 -1.0787 -1.0756 -0.6604 -0.9835 -0.6095 -0.8958 -0.6120 -0.8825 -0.6634 -0.9822 -0.9840 -0.6614 -0.9141 -0.6537 -0.8900 -0.6924 -0.8975 -0.9407 -0.8717 -0.9387 -0.8980 2.1225 -0.6612 -0.8695 -0.9409 -0.9441 -0.6932 0.3167 0.3143 0.3145 2.0591 1.9872 2.1003 1.9491 2.1049 2.0844 2.0601 1.9827 1.9832 2.1031 1.9545 2.0626 1.8954 1.9218 1.8946 1.8952 1.8861 1.9309 1.9955 1.9463 1.9952 1.9488 1.8866 1.9309 1.9304 1.9865 1.9424 1.8859 1.9570 1.9835 1.9593 1.9517 1.9603 1.9511 1.9554 2.5592 1.9863 1.9606 1.9519 1.9499 1.9833 0.5864 0.5891 0.5896 6.0741 4.6264 6.0926 6.0541 6.0968 6.0788 6.0745 4.6664 4.6710 6.0971 6.0534 6.0665 5.1450 4.8446 5.1469 5.1434 4.7410 5.0237 4.5754 4.9190 4.5782 4.9047 4.7435 5.0223 5.0247 4.6322 4.9404 4.7346 4.9020 4.6680 4.8984 4.9527 4.8729 4.9512 4.9116 7.4965 4.6323 4.8704 4.9527 4.9607 4.6690 0.0969 0.0966 0.0959 3.2574 0.0428 3.2079 3.6029 3.2084 3.2810 3.2579 0.0407 0.0408 3.2112 3.6047 3.2502 0.0372 0.0443 0.0372 0.0370 0.0333 0.0288 0.0387 0.0305 0.0385 0.0289 0.0334 0.0291 0.0289 0.0427 0.0313 0.0332 0.0310 0.0410 0.0398 0.0363 0.0385 0.0363 0.0310 0.8218 0.0426 0.0385 0.0363 0.0335 0.0409 0.0000 0.0000 0.0000 14.0272 0.0000 14.0287 0.0000 14.0287 14.0283 14.0271 0.0000 0.0000 14.0288 0.0000 14.0272 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 W O W Mo W W W O O W Mo W O O O O O O O O O O O O O O O O O O O O O O O P O O O O O H H H 2.499354 -0.665186 2.557613 3.175567 2.558859 2.519018 2.497781 -0.705432 -0.709070 2.559026 3.175517 2.502079 -1.075191 -0.885491 -1.052002 -1.073455 -0.501722 -0.933991 -0.870100 -1.044481 -0.872767 -1.143197 -0.503174 -0.934021 -0.934721 -0.669948 -1.005280 -0.496166 -1.030115 -0.706440 -0.852372 -0.885575 -0.928633 -0.884961 -1.031880 1.973125 -0.670107 -0.926098 -0.884311 -0.901812 -0.707053 0.152694 0.155292 0.158824 1.975241 -0.521553 1.973708 2.383390 1.978791 1.972671 1.974677 -0.561956 -0.565489 1.979200 2.385738 1.976248 -0.851149 -0.778542 -0.813084 -0.849406 -0.668984 -0.677057 -0.597479 -0.797629 -0.601597 -0.892715 -0.671996 -0.678232 -0.677856 -0.532329 -0.779527 -0.661911 -0.812097 -0.565441 -0.691125 -0.693934 -0.758382 -0.695121 -0.811276 1.566910 -0.526901 -0.762419 -0.691744 -0.714190 -0.562695 0.428586 0.432898 0.435759 2.088206 -0.520134 2.118502 2.451611 2.129882 2.054843 2.089759 -0.533392 -0.557235 2.126241 2.454612 2.088271 -0.882022 -0.778298 -0.856693 -0.881783 -0.659897 -0.799616 -0.563359 -0.870580 -0.568926 -0.955544 -0.664842 -0.799407 -0.798428 -0.533639 -0.847462 -0.651056 -0.871211 -0.559713 -0.714913 -0.763811 -0.782503 -0.755693 -0.870131 1.569111 -0.524165 -0.789337 -0.764561 -0.771974 -0.554168 0.423425 0.423689 0.426338 -6.90306568 -8.19096133 -6.81696714 12.69705494 -0.17855988 0.98212649 3.59348964 -1.66201989 4.24684453 1.84057977 -316.2137 307.5482 -56.1034 -284.1636 -1.7853 -350.7178 Mar28-2024 23:35:52 Nodes: 1 Procs: 1 Mar28-2024 23:35:52 Nodes: 1 Procs: 1 0 Mar28-2024 23:35:52 Nodes: 1 Procs: 1 Mar28-2024 23:35:53 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar28-2024 23:35:53 Nodes: 1 Procs: 1 Mar28-2024 23:35:54 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar28-2024 23:35:55 Nodes: 1 Procs: 1 Mar28-2024 23:35:55 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar28-2024 23:35:56 Nodes: 1 Procs: 1 Mar28-2024 23:35:57 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar28-2024 23:35:59 Nodes: 1 Procs: 24 *** (NO TITLE) *** 0 -12.17077700 -12.64481112 -12.31513008 -12.80464092 -12.84764395 -12.85695699 -12.86538505 -12.87653422 -12.87982762 -12.88238404 -12.88436371 -12.88549949 -12.88610832 -12.88648435 -12.88692740 -12.88717587 -12.88756106 -12.88792760 -12.88816657 -12.88831538 -12.88841127 -12.88847215 -12.88850916 -12.88855014 -12.88861400 -12.88862672 -12.88864368 GEOMETRY CONVERGED