ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr22-2024 19:43:52 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.03 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 Apr22-2024 19:43:52 Nodes: 1 Procs: 1 Apr22-2024 19:43:53 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr22-2024 19:43:53 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.58 0.04 0.66 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 Apr22-2024 19:43:52 Nodes: 1 Procs: 1 Apr22-2024 19:43:53 Nodes: 1 Procs: 1 0 Apr22-2024 19:43:53 Nodes: 1 Procs: 1 Apr22-2024 19:43:54 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr22-2024 19:43:54 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.73 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 Apr22-2024 19:43:52 Nodes: 1 Procs: 1 Apr22-2024 19:43:53 Nodes: 1 Procs: 1 0 Apr22-2024 19:43:53 Nodes: 1 Procs: 1 Apr22-2024 19:43:54 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr22-2024 19:43:54 Nodes: 1 Procs: 1 Apr22-2024 19:43:55 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr22-2024 19:43:56 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.45 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 Apr22-2024 19:43:52 Nodes: 1 Procs: 1 Apr22-2024 19:43:53 Nodes: 1 Procs: 1 0 Apr22-2024 19:43:53 Nodes: 1 Procs: 1 Apr22-2024 19:43:54 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr22-2024 19:43:54 Nodes: 1 Procs: 1 Apr22-2024 19:43:55 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr22-2024 19:43:56 Nodes: 1 Procs: 1 Apr22-2024 19:43:56 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr22-2024 19:43:56 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) 1.34 0.02 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 Apr22-2024 19:43:52 Nodes: 1 Procs: 1 Apr22-2024 19:43:53 Nodes: 1 Procs: 1 0 Apr22-2024 19:43:53 Nodes: 1 Procs: 1 Apr22-2024 19:43:54 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr22-2024 19:43:54 Nodes: 1 Procs: 1 Apr22-2024 19:43:55 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr22-2024 19:43:56 Nodes: 1 Procs: 1 Apr22-2024 19:43:56 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr22-2024 19:43:56 Nodes: 1 Procs: 1 Apr22-2024 19:43:57 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr22-2024 19:43:59 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 1829.9151609999979 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019 Apr22-2024 19:43:57 1 1 Tungsten TZP 4d t21.O ADF 2019 Apr22-2024 19:43:56 1 1 Oxygen TZP 1s t21.Mo ADF 2019 Apr22-2024 19:43:55 1 1 Molybdenum TZP 3d t21.P ADF 2019 Apr22-2024 19:43:54 1 1 Phosphorus TZP 1s t21.H ADF 2019 Apr22-2024 19:43:53 1 1 Hydrogen TZP 1 1 -12.05496320 0.27329824 0.00100000 F 0.11302425 0.00066667 F 0.27329824 0.11302425 0.17449470 0.01000000 F 0.05726747 0.00666667 F Cartesian 1829.9151609999979 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59.125367 27.935091 13.993321 97.769210 72.077066 194.814950 30.107477 242.025552 211.803940 92.528855 120.096868 105.994485 96.899867 649.427135 1091.476605 150.212908 348.128098 142.855566 31.795087 280.805694 1449.761106 1188.021739 103.085995 155.781292 246.120947 3408.702081 3305.921569 2398.739761 274.209488 208.803738 2542.243684 2415.014253 1078.336588 227.258690 66.120496 31.998686 328.380125 291.283090 118.146685 318.306078 364.762735 59.967200 52.852078 27.059717 39.576030 288.063844 723.043142 290.334021 1120.082082 -121.635 -88.899 -59.821 325.371 186.338 163.043 -0.115 0.119 0.073 0.076 0.067 -0.183 0.082 -0.178 0.122 24.991 48.990 52.323 0.03751948 0.01425558 0.01456456 9.364887 10.848942 14.477576 1.000000 298.150000 47432.3916 51039.0216 72388.1228 1 NOSYM 298.15 48.401 40.390 199.908 288.699 0.889 0.889 116.725 118.502 2.981 2.981 177.568 183.530 1829.9151609999979 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190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 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 -8.311 -8.300 -8.255 -8.237 -8.203 -8.042 -8.016 -8.004 -7.143 -7.137 -5.669 -5.360 -4.989 -4.741 -4.522 -4.449 -4.336 -4.282 -4.247 -4.225 A A A A A A A A A A A A A A A A A A A A 0.00000000060058 0.00040488667445 0.00026328077018 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 74 74 74 74 74 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 42 42 42 42 15 1 1 1 0.402022 -2.322609 2.849999 2.300166 -2.577499 0.027961 -2.330253 2.822476 0.413201 -2.547556 -0.000024 2.324393 2.782244 0.369760 -2.307712 3.554862 -3.715241 -0.188700 3.495159 4.082119 0.208584 -3.501971 4.023994 0.055685 0.903067 -0.910640 0.922972 -0.916081 -0.937992 -0.928681 0.913900 0.893442 -0.863505 -0.891668 0.883905 0.920284 -3.244096 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0.4361414E+07 3,-3 3 3 -3 -2.330253 2.822476 0.413201 Rho 0.4361415E+07 3,-3 4 3 -3 -2.547556 -0.000024 2.324393 Rho 0.4361414E+07 3,-3 5 3 -3 2.782244 0.369760 -2.307712 Rho 0.4361415E+07 3,-3 6 3 -3 3.554862 -3.715241 -0.188700 Rho 0.3195200E+03 3,-3 7 3 -3 3.495159 4.082119 0.208584 Rho 0.3196190E+03 3,-3 8 3 -3 -3.501971 4.023994 0.055685 Rho 0.3194655E+03 3,-3 9 3 -3 0.903067 -0.910640 0.922972 Rho 0.3187833E+03 3,-3 10 3 -3 -0.916081 -0.937992 -0.928681 Rho 0.3190819E+03 3,-3 11 3 -3 0.913900 0.893442 -0.863505 Rho 0.3187909E+03 3,-3 12 3 -3 -0.891668 0.883905 0.920284 Rho 0.3187816E+03 3,-3 13 3 -3 -3.244096 -1.109994 0.973602 Rho 0.3187517E+03 3,-3 14 3 -3 2.716829 -1.215479 -1.279362 Rho 0.3187962E+03 3,-3 15 3 -3 4.106257 0.239356 3.507093 Rho 0.3196198E+03 3,-3 16 3 -3 3.095288 1.321931 1.148999 Rho 0.3190712E+03 3,-3 17 3 -3 0.246944 3.508137 4.104974 Rho 0.3196216E+03 3,-3 18 3 -3 1.337568 1.150194 3.105562 Rho 0.3190675E+03 3,-3 19 3 -3 -1.164997 0.936807 -3.262416 Rho 0.3188884E+03 3,-3 20 3 -3 -1.186451 -1.302863 2.762962 Rho 0.3187959E+03 3,-3 21 3 -3 -1.326655 2.725626 -1.181053 Rho 0.3188657E+03 3,-3 22 3 -3 -0.250488 3.528399 -3.710721 Rho 0.3196925E+03 3,-3 23 3 -3 1.149696 3.091828 1.334761 Rho 0.3190637E+03 3,-3 24 3 -3 0.954876 -3.294754 -1.075194 Rho 0.3187505E+03 3,-3 25 3 -3 3.360477 -1.494106 1.407467 Rho 0.3191026E+03 3,-3 26 3 -3 3.963329 -0.012664 -3.493343 Rho 0.3194657E+03 3,-3 27 3 -3 3.550167 1.700780 -1.364784 Rho 0.3191431E+03 3,-3 28 3 -3 -3.326587 1.561962 1.369944 Rho 0.3189973E+03 3,-3 29 3 -3 1.723872 -1.347500 3.588952 Rho 0.3191400E+03 3,-3 30 3 -3 1.525286 1.313308 -3.324998 Rho 0.3190580E+03 3,-3 31 3 -3 -1.478208 1.393440 3.371770 Rho 0.3191006E+03 3,-3 32 3 -3 -3.698138 -0.216500 3.567651 Rho 0.3195195E+03 3,-3 33 3 -3 -1.345823 3.565545 1.727086 Rho 0.3191351E+03 3,-3 34 3 -3 1.355742 -3.338969 1.599150 Rho 0.3189964E+03 3,-3 35 3 -3 1.372675 3.344562 -1.490236 Rho 0.3191608E+03 3,-3 36 3 -3 0.036853 -3.486712 4.056478 Rho 0.3194656E+03 3,-3 37 3 -3 -0.040420 2.289771 -2.573183 Rho 0.1240648E+06 3,-3 38 3 -3 0.005381 2.391597 2.839812 Rho 0.1240647E+06 3,-3 39 3 -3 2.373632 2.816720 -0.016442 Rho 0.1240646E+06 3,-3 40 3 -3 2.836403 -0.004669 2.395802 Rho 0.1240647E+06 3,-3 41 3 -3 -0.067742 -0.085112 -0.058904 Rho 0.2439642E+04 3,-3 42 3 -3 -1.648166 1.149484 -4.092919 Rho 0.4480867E+00 3,-3 43 3 -3 -4.087194 -1.588790 1.123887 Rho 0.4483965E+00 3,-3 44 3 -3 1.123302 -4.124328 -1.571284 Rho 0.4483790E+00 3,-3 45 3 +1 -0.572052 1.539597 -0.550069 Rho 0.1004085E-01 |GRAD(Rho)| 0.1273967E-14 GRAD(Rho)x 0.1258857E-14 GRAD(Rho)y 0.1956305E-15 GRAD(Rho)z 0.9397830E-19 Laplacian 0.4318095E-01 (-1/4)Del**2(Rho)) -0.1079524E-01 Diamond 0.1477993E-02 Metallicity 0.7457700E+00 Ellipticity -0.1433066E+01 Gb(Abramov) 0.8538620E-02 Vb(Abramov) -0.6282001E-02 Hb(Abramov) 0.2256619E-02 Ex_ueg -0.1599849E-02 Ec_ueg -0.3699003E-03 Delta_ex -0.2070621E-02 Delta_ec 0.6406486E-03 Delta_et -0.4530356E-02 Pxc 0.4325081E+01 Qxc -0.3232070E+01 3,+1 46 3 -1 -1.584617 1.811058 0.649832 Rho 0.4086032E-01 |GRAD(Rho)| 0.3141030E-16 GRAD(Rho)x 0.2126603E-16 GRAD(Rho)y -0.2302405E-16 GRAD(Rho)z 0.2063002E-17 Laplacian 0.1555631E+00 (-1/4)Del**2(Rho)) -0.3889077E-01 Diamond 0.5785776E-01 Metallicity 0.2147218E+01 Ellipticity 0.6222173E-01 Gb(Abramov) 0.3984501E-01 Vb(Abramov) -0.4079925E-01 Hb(Abramov) -0.9542372E-03 Ex_ueg -0.1039411E-01 Ec_ueg -0.1916272E-02 Delta_ex -0.1205772E-01 Delta_ec 0.4432822E-02 Delta_et -0.4428070E-01 Pxc 0.5424130E+01 Qxc -0.2720100E+01 3,-1 47 3 -1 -2.965909 3.473711 0.219054 Rho 0.2582570E+00 |GRAD(Rho)| 0.8156074E-14 GRAD(Rho)x 0.1645168E-14 GRAD(Rho)y 0.6803585E-14 GRAD(Rho)z -0.4186430E-14 Laplacian 0.9383542E+00 (-1/4)Del**2(Rho)) -0.2345885E+00 Diamond 0.3603514E+01 Metallicity 0.7691303E+01 Ellipticity 0.4700082E-02 Gb(Abramov) 0.4571076E+00 Vb(Abramov) -0.6796267E+00 Hb(Abramov) -0.2225191E+00 Ex_ueg -0.1214660E+00 Ec_ueg -0.1571029E-01 Delta_ex -0.1154698E+00 Delta_ec 0.2009028E-01 Delta_et -0.2778774E+00 Pxc 0.7731618E+01 Qxc -0.5747545E+01 3,-1 48 3 +1 -0.936096 2.142043 1.524923 Rho 0.1883462E-01 |GRAD(Rho)| 0.2830746E-14 GRAD(Rho)x -0.1169258E-14 GRAD(Rho)y 0.2576847E-14 GRAD(Rho)z -0.7625922E-16 Laplacian 0.6569819E-01 (-1/4)Del**2(Rho)) -0.1642455E-01 Diamond 0.4546458E-02 Metallicity 0.1398474E+01 Ellipticity -0.1927265E+01 Gb(Abramov) 0.1477792E-01 Vb(Abramov) -0.1313129E-01 Hb(Abramov) 0.1646631E-02 Ex_ueg -0.3701072E-02 Ec_ueg -0.7836109E-03 Delta_ex -0.3589156E-02 Delta_ec 0.7541571E-03 Delta_et -0.6348558E-02 Pxc 0.4723099E+01 Qxc -0.4759163E+01 3,+1 49 3 -1 -2.057152 -0.988902 0.098326 Rho 0.7701207E-02 |GRAD(Rho)| 0.1031122E-14 GRAD(Rho)x -0.9054111E-15 GRAD(Rho)y -0.4727609E-15 GRAD(Rho)z -0.1412107E-15 Laplacian 0.3211371E-01 (-1/4)Del**2(Rho)) -0.8028428E-02 Diamond 0.1848768E-02 Metallicity 0.6444471E+00 Ellipticity 0.2771515E+00 Gb(Abramov) 0.6214602E-02 Vb(Abramov) -0.4400775E-02 Hb(Abramov) 0.1813827E-02 Ex_ueg -0.1123216E-02 Ec_ueg -0.2649468E-03 Delta_ex -0.2005944E-02 Delta_ec 0.1485807E-02 Delta_et -0.9003749E-02 Pxc 0.4239403E+01 Qxc -0.1350070E+01 3,-1 50 3 +1 -1.855204 -0.624944 0.450663 Rho 0.6728786E-02 |GRAD(Rho)| 0.3850771E-17 GRAD(Rho)x 0.7367991E-18 GRAD(Rho)y 0.3419175E-17 GRAD(Rho)z 0.1610840E-17 Laplacian 0.2868330E-01 (-1/4)Del**2(Rho)) -0.7170825E-02 Diamond 0.7506843E-03 Metallicity 0.5761627E+00 Ellipticity -0.1631212E+01 Gb(Abramov) 0.5469144E-02 Vb(Abramov) -0.3767463E-02 Hb(Abramov) 0.1701681E-02 Ex_ueg -0.9382113E-03 Ec_ueg -0.2220517E-03 Delta_ex -0.1357904E-02 Delta_ec 0.6278421E-03 Delta_et -0.3833097E-02 Pxc 0.4225194E+01 Qxc -0.2162811E+01 3,+1 51 3 -1 -0.441953 -1.773319 2.794844 Rho 0.1564480E+00 |GRAD(Rho)| 0.3333749E-15 GRAD(Rho)x -0.2266525E-15 GRAD(Rho)y 0.2219904E-15 GRAD(Rho)z 0.1024097E-15 Laplacian 0.6706181E+00 (-1/4)Del**2(Rho)) -0.1676545E+00 Diamond 0.1430442E+01 Metallicity 0.4667537E+01 Ellipticity 0.1576401E-01 Gb(Abramov) 0.2421920E+00 Vb(Abramov) -0.3167294E+00 Hb(Abramov) -0.7453745E-01 Ex_ueg -0.6226037E-01 Ec_ueg -0.8857547E-02 Delta_ex -0.7277828E-01 Delta_ec 0.1685339E-01 Delta_et -0.2256746E+00 Pxc 0.7029075E+01 Qxc -0.4318316E+01 3,-1 52 3 +1 1.982151 -1.854695 2.007294 Rho 0.1217315E-01 |GRAD(Rho)| 0.3260866E-14 GRAD(Rho)x -0.2210423E-14 GRAD(Rho)y 0.1639272E-14 GRAD(Rho)z -0.1749304E-14 Laplacian 0.5103457E-01 (-1/4)Del**2(Rho)) -0.1275864E-01 Diamond 0.1512476E-02 Metallicity 0.8698021E+00 Ellipticity -0.1082279E+01 Gb(Abramov) 0.1035534E-01 Vb(Abramov) -0.7952046E-02 Hb(Abramov) 0.2403299E-02 Ex_ueg -0.2068184E-02 Ec_ueg -0.4675682E-03 Delta_ex -0.2355607E-02 Delta_ec 0.3723526E-03 Delta_et -0.3023018E-02 Pxc 0.4423277E+01 Qxc -0.6326280E+01 3,+1 53 3 +3 1.117595 1.108617 1.139600 Rho 0.3852068E-02 |GRAD(Rho)| 0.3256654E-14 GRAD(Rho)x -0.2681907E-14 GRAD(Rho)y 0.6594247E-16 GRAD(Rho)z -0.1846300E-14 Laplacian 0.1551765E-01 (-1/4)Del**2(Rho)) -0.3879412E-02 Diamond 0.8633933E-04 Metallicity 0.4203495E+00 Ellipticity -0.4722464E-01 Gb(Abramov) 0.2858060E-02 Vb(Abramov) -0.1836707E-02 Hb(Abramov) 0.1021353E-02 Ex_ueg -0.4459748E-03 Ec_ueg -0.9785210E-04 Delta_ex -0.5127515E-03 Delta_ec 0.9291504E-04 Delta_et -0.6297799E-03 Pxc 0.4557642E+01 Qxc -0.5518498E+01 3,+3 54 3 +1 -0.542846 -0.580368 1.572163 Rho 0.1048597E-01 |GRAD(Rho)| 0.2247697E-15 GRAD(Rho)x -0.6675292E-16 GRAD(Rho)y 0.2009298E-15 GRAD(Rho)z -0.7544996E-16 Laplacian 0.4579773E-01 (-1/4)Del**2(Rho)) -0.1144943E-01 Diamond 0.1628197E-02 Metallicity 0.7558754E+00 Ellipticity -0.1411897E+01 Gb(Abramov) 0.9075345E-02 Vb(Abramov) -0.6701259E-02 Hb(Abramov) 0.2374087E-02 Ex_ueg -0.1695105E-02 Ec_ueg -0.3901351E-03 Delta_ex -0.2208408E-02 Delta_ec 0.6578589E-03 Delta_et -0.4719834E-02 Pxc 0.4344917E+01 Qxc -0.3356963E+01 3,+1 55 3 +1 0.005108 0.025955 2.788023 Rho 0.3813555E-02 |GRAD(Rho)| 0.3580441E-13 GRAD(Rho)x -0.2471734E-13 GRAD(Rho)y 0.2325775E-13 GRAD(Rho)z 0.1140552E-13 Laplacian 0.1569394E-01 (-1/4)Del**2(Rho)) -0.3923484E-02 Diamond 0.2127936E-03 Metallicity 0.4087252E+00 Ellipticity -0.1420286E+01 Gb(Abramov) 0.2882927E-02 Vb(Abramov) -0.1842370E-02 Hb(Abramov) 0.1040557E-02 Ex_ueg -0.4400396E-03 Ec_ueg -0.9621809E-04 Delta_ex -0.6859672E-03 Delta_ec 0.3952959E-03 Delta_et -0.2019441E-02 Pxc 0.4573357E+01 Qxc -0.1735326E+01 3,+1 56 3 -1 -0.415450 -0.434821 -0.415199 Rho 0.2361994E+00 |GRAD(Rho)| 0.1711042E-12 GRAD(Rho)x 0.8744856E-13 GRAD(Rho)y 0.1317099E-12 GRAD(Rho)z 0.6543612E-13 Laplacian 0.1140719E+01 (-1/4)Del**2(Rho)) -0.2851799E+00 Diamond 0.4036473E+01 Metallicity 0.5452124E+01 Ellipticity 0.1254441E-02 Gb(Abramov) 0.4492593E+00 Vb(Abramov) -0.6133387E+00 Hb(Abramov) -0.1640794E+00 Ex_ueg -0.1078343E+00 Ec_ueg -0.1417679E-01 Delta_ex -0.1376779E+00 Delta_ec 0.2608395E-01 Delta_et -0.3644116E+00 Pxc 0.7606398E+01 Qxc -0.5278261E+01 3,-1 57 3 +1 1.061681 1.223339 -2.086085 Rho 0.2806608E-01 |GRAD(Rho)| 0.2491072E-16 GRAD(Rho)x -0.1147889E-16 GRAD(Rho)y 0.1857945E-16 GRAD(Rho)z -0.1198262E-16 Laplacian 0.1117168E+00 (-1/4)Del**2(Rho)) -0.2792919E-01 Diamond 0.1677876E-01 Metallicity 0.1598813E+01 Ellipticity -0.3652332E+01 Gb(Abramov) 0.2606172E-01 Vb(Abramov) -0.2419425E-01 Hb(Abramov) 0.1867472E-02 Ex_ueg -0.6299325E-02 Ec_ueg -0.1244292E-02 Delta_ex -0.7133880E-02 Delta_ec 0.1836538E-02 Delta_et -0.1668076E-01 Pxc 0.5062579E+01 Qxc -0.3884416E+01 3,+1 58 3 +3 0.032769 0.033807 2.538125 Rho 0.3773329E-02 |GRAD(Rho)| 0.1921452E-14 GRAD(Rho)x -0.1094218E-14 GRAD(Rho)y 0.1250853E-14 GRAD(Rho)z 0.9643801E-15 Laplacian 0.1552310E-01 (-1/4)Del**2(Rho)) -0.3880776E-02 Diamond 0.1459264E-03 Metallicity 0.4059842E+00 Ellipticity -0.5545144E+00 Gb(Abramov) 0.2849773E-02 Vb(Abramov) -0.1818770E-02 Hb(Abramov) 0.1031003E-02 Ex_ueg -0.4338617E-03 Ec_ueg -0.9451222E-04 Delta_ex -0.5938511E-03 Delta_ec 0.2424222E-03 Delta_et -0.1311306E-02 Pxc 0.4590536E+01 Qxc -0.2449657E+01 3,+3 59 3 +1 0.019595 2.765878 -0.004764 Rho 0.3736563E-02 |GRAD(Rho)| 0.2010561E-17 GRAD(Rho)x 0.1462987E-17 GRAD(Rho)y -0.7533910E-18 GRAD(Rho)z -0.1155174E-17 Laplacian 0.1529992E-01 (-1/4)Del**2(Rho)) -0.3824981E-02 Diamond 0.2001317E-03 Metallicity 0.4052388E+00 Ellipticity -0.1404074E+01 Gb(Abramov) 0.2808326E-02 Vb(Abramov) -0.1791671E-02 Hb(Abramov) 0.1016655E-02 Ex_ueg -0.4282343E-03 Ec_ueg -0.9295382E-04 Delta_ex -0.6636855E-03 Delta_ec 0.3811881E-03 Delta_et -0.1937847E-02 Pxc 0.4606958E+01 Qxc -0.1741097E+01 3,+1 60 3 -1 0.322680 -0.414640 0.339099 Rho 0.1805863E+00 |GRAD(Rho)| 0.5673139E-15 GRAD(Rho)x 0.3320688E-15 GRAD(Rho)y -0.3272015E-15 GRAD(Rho)z 0.3232871E-15 Laplacian 0.5226042E+00 (-1/4)Del**2(Rho)) -0.1306511E+00 Diamond 0.1476722E+01 Metallicity 0.7607612E+01 Ellipticity 0.1010929E-01 Gb(Abramov) 0.2527578E+00 Vb(Abramov) -0.3748645E+00 Hb(Abramov) -0.1221067E+00 Ex_ueg -0.7538730E-01 Ec_ueg -0.1042946E-01 Delta_ex -0.5996694E-01 Delta_ec 0.1477348E-01 Delta_et -0.2075574E+00 Pxc 0.7228306E+01 Qxc -0.4059094E+01 3,-1 61 3 +1 1.540089 -0.572918 -0.547734 Rho 0.1073768E-01 |GRAD(Rho)| 0.1581392E-16 GRAD(Rho)x 0.8910347E-17 GRAD(Rho)y 0.8316891E-17 GRAD(Rho)z -0.1007547E-16 Laplacian 0.4673480E-01 (-1/4)Del**2(Rho)) -0.1168370E-01 Diamond 0.1714853E-02 Metallicity 0.7705902E+00 Ellipticity -0.1422749E+01 Gb(Abramov) 0.9289690E-02 Vb(Abramov) -0.6895681E-02 Hb(Abramov) 0.2394009E-02 Ex_ueg -0.1749574E-02 Ec_ueg -0.4016140E-03 Delta_ex -0.2266906E-02 Delta_ec 0.6704811E-03 Delta_et -0.4840167E-02 Pxc 0.4356357E+01 Qxc -0.3381013E+01 3,+1 62 3 +1 0.454583 -1.884350 -0.599763 Rho 0.6660376E-02 |GRAD(Rho)| 0.1490002E-16 GRAD(Rho)x 0.7808797E-17 GRAD(Rho)y -0.1127231E-16 GRAD(Rho)z -0.5828222E-17 Laplacian 0.2811101E-01 (-1/4)Del**2(Rho)) -0.7027753E-02 Diamond 0.7136203E-03 Metallicity 0.5779647E+00 Ellipticity -0.1611285E+01 Gb(Abramov) 0.5362134E-02 Vb(Abramov) -0.3696515E-02 Hb(Abramov) 0.1665619E-02 Ex_ueg -0.9255149E-03 Ec_ueg -0.2190508E-03 Delta_ex -0.1320164E-02 Delta_ec 0.6017468E-03 Delta_et -0.3670666E-02 Pxc 0.4225116E+01 Qxc -0.2193886E+01 3,+1 63 3 +1 0.563771 0.527738 1.767800 Rho 0.6846354E-02 |GRAD(Rho)| 0.9372728E-17 GRAD(Rho)x -0.6037870E-17 GRAD(Rho)y 0.2783541E-17 GRAD(Rho)z 0.6606365E-17 Laplacian 0.2756085E-01 (-1/4)Del**2(Rho)) -0.6890214E-02 Diamond 0.5742943E-03 Metallicity 0.6171907E+00 Ellipticity -0.1389008E+01 Gb(Abramov) 0.5302238E-02 Vb(Abramov) -0.3714263E-02 Hb(Abramov) 0.1587975E-02 Ex_ueg -0.9601317E-03 Ec_ueg -0.2272142E-03 Delta_ex -0.1209638E-02 Delta_ec 0.4243457E-03 Delta_et -0.2702576E-02 Pxc 0.4225667E+01 Qxc -0.2850595E+01 3,+1 64 3 +1 0.531980 1.741790 0.581805 Rho 0.6920531E-02 |GRAD(Rho)| 0.9767002E-15 GRAD(Rho)x -0.6829583E-15 GRAD(Rho)y -0.6891090E-15 GRAD(Rho)z -0.1124278E-15 Laplacian 0.2792745E-01 (-1/4)Del**2(Rho)) -0.6981862E-02 Diamond 0.5874363E-03 Metallicity 0.6201275E+00 Ellipticity -0.1385322E+01 Gb(Abramov) 0.5376182E-02 Vb(Abramov) -0.3770502E-02 Hb(Abramov) 0.1605680E-02 Ex_ueg -0.9740269E-03 Ec_ueg -0.2304748E-03 Delta_ex -0.1227102E-02 Delta_ec 0.4266899E-03 Delta_et -0.2727905E-02 Pxc 0.4226175E+01 Qxc -0.2875864E+01 3,+1 65 3 +1 1.756498 0.530418 0.564870 Rho 0.7023874E-02 |GRAD(Rho)| 0.6988394E-17 GRAD(Rho)x 0.6377089E-17 GRAD(Rho)y 0.1935332E-17 GRAD(Rho)z -0.2103539E-17 Laplacian 0.2837141E-01 (-1/4)Del**2(Rho)) -0.7092852E-02 Diamond 0.6069746E-03 Metallicity 0.6256913E+00 Ellipticity -0.1386613E+01 Gb(Abramov) 0.5468224E-02 Vb(Abramov) -0.3843596E-02 Hb(Abramov) 0.1624628E-02 Ex_ueg -0.9934683E-03 Ec_ueg -0.2350218E-03 Delta_ex -0.1249994E-02 Delta_ec 0.4314391E-03 Delta_et -0.2770753E-02 Pxc 0.4227133E+01 Qxc -0.2897267E+01 3,+1 66 3 -1 1.089477 -3.941362 -1.460328 Rho 0.3294187E+00 |GRAD(Rho)| 0.2178058E-15 GRAD(Rho)x -0.1157705E-15 GRAD(Rho)y 0.1098017E-15 GRAD(Rho)z 0.1482570E-15 Laplacian -0.1798539E+01 (-1/4)Del**2(Rho)) 0.4496347E+00 Diamond 0.6380255E+01 Metallicity -0.6020147E+01 Ellipticity 0.4421282E-02 Gb(Abramov) 0.1513880E+00 Vb(Abramov) -0.7524108E+00 Hb(Abramov) -0.6010228E+00 Ex_ueg -0.1680284E+00 Ec_ueg -0.2084012E-01 Delta_ex 0.1816002E+00 Delta_ec 0.6195345E-01 Delta_et -0.1491212E+01 Pxc 0.8062736E+01 Qxc 0.2931236E+01 3,-1 67 3 +1 2.747576 -0.019820 0.043219 Rho 0.3858328E-02 |GRAD(Rho)| 0.1512820E-16 GRAD(Rho)x -0.9278364E-17 GRAD(Rho)y 0.1193825E-16 GRAD(Rho)z 0.5027148E-18 Laplacian 0.1585658E-01 (-1/4)Del**2(Rho)) -0.3964144E-02 Diamond 0.2137951E-03 Metallicity 0.4124794E+00 Ellipticity -0.1370826E+01 Gb(Abramov) 0.2915284E-02 Vb(Abramov) -0.1866424E-02 Hb(Abramov) 0.1048860E-02 Ex_ueg -0.4469413E-03 Ec_ueg -0.9811775E-04 Delta_ex -0.6886581E-03 Delta_ec 0.3886117E-03 Delta_et -0.1997700E-02 Pxc 0.4555153E+01 Qxc -0.1772098E+01 3,+1 68 3 +3 1.939635 -1.806553 1.968161 Rho 0.1216784E-01 |GRAD(Rho)| 0.1211235E-16 GRAD(Rho)x 0.6041535E-17 GRAD(Rho)y 0.1049189E-16 GRAD(Rho)z 0.3591698E-18 Laplacian 0.5081131E-01 (-1/4)Del**2(Rho)) -0.1270283E-01 Diamond 0.1330945E-02 Metallicity 0.8729888E+00 Ellipticity -0.9013761E+00 Gb(Abramov) 0.1031679E-01 Vb(Abramov) -0.7930752E-02 Hb(Abramov) 0.2386038E-02 Ex_ueg -0.2066981E-02 Ec_ueg -0.4673227E-03 Delta_ex -0.2295653E-02 Delta_ec 0.2825949E-03 Delta_et -0.2413702E-02 Pxc 0.4423027E+01 Qxc -0.8123476E+01 3,+3 69 3 +3 2.534929 -0.001539 0.057493 Rho 0.3832830E-02 |GRAD(Rho)| 0.2135335E-15 GRAD(Rho)x -0.2132907E-15 GRAD(Rho)y -0.9948092E-17 GRAD(Rho)z 0.2166597E-17 Laplacian 0.1576916E-01 (-1/4)Del**2(Rho)) -0.3942289E-02 Diamond 0.1551276E-03 Metallicity 0.4102079E+00 Ellipticity -0.6120486E+00 Gb(Abramov) 0.2897719E-02 Vb(Abramov) -0.1853149E-02 Hb(Abramov) 0.1044570E-02 Ex_ueg -0.4430075E-03 Ec_ueg -0.9703576E-04 Delta_ex -0.6103518E-03 Delta_ec 0.2550746E-03 Delta_et -0.1378365E-02 Pxc 0.4565405E+01 Qxc -0.2392836E+01 3,+3 70 3 -1 1.564039 -1.708021 0.464908 Rho 0.5436657E-01 |GRAD(Rho)| 0.4510120E-15 GRAD(Rho)x 0.2423683E-15 GRAD(Rho)y 0.1523101E-15 GRAD(Rho)z 0.3485270E-15 Laplacian 0.2045861E+00 (-1/4)Del**2(Rho)) -0.5114651E-01 Diamond 0.1139305E+00 Metallicity 0.2627990E+01 Ellipticity 0.3345624E-01 Gb(Abramov) 0.5649976E-01 Vb(Abramov) -0.6185301E-01 Hb(Abramov) -0.5353246E-02 Ex_ueg -0.1521111E-01 Ec_ueg -0.2657626E-02 Delta_ex -0.1711189E-01 Delta_ec 0.5934907E-02 Delta_et -0.6389966E-01 Pxc 0.5723571E+01 Qxc -0.2883261E+01 3,-1 71 3 +1 1.100153 -2.090566 1.304422 Rho 0.2946921E-01 |GRAD(Rho)| 0.7134227E-16 GRAD(Rho)x 0.8937584E-17 GRAD(Rho)y -0.7061989E-16 GRAD(Rho)z -0.4761260E-17 Laplacian 0.1201420E+00 (-1/4)Del**2(Rho)) -0.3003550E-01 Diamond 0.2061755E-01 Metallicity 0.1612621E+01 Ellipticity -0.6609259E+01 Gb(Abramov) 0.2809631E-01 Vb(Abramov) -0.2615713E-01 Hb(Abramov) 0.1939186E-02 Ex_ueg -0.6722688E-02 Ec_ueg -0.1316261E-02 Delta_ex -0.7888808E-02 Delta_ec 0.2180243E-02 Delta_et -0.2000930E-01 Pxc 0.5107414E+01 Qxc -0.3618316E+01 3,+1 72 3 -1 2.981957 -3.193977 -0.087525 Rho 0.2639182E+00 |GRAD(Rho)| 0.7513703E-08 GRAD(Rho)x -0.5529380E-08 GRAD(Rho)y 0.4999676E-08 GRAD(Rho)z 0.9407069E-09 Laplacian 0.9797759E+00 (-1/4)Del**2(Rho)) -0.2449440E+00 Diamond 0.3869459E+01 Metallicity 0.7637221E+01 Ellipticity 0.1051089E-02 Gb(Abramov) 0.4750778E+00 Vb(Abramov) -0.7052117E+00 Hb(Abramov) -0.2301339E+00 Ex_ueg -0.1250290E+00 Ec_ueg -0.1610817E-01 Delta_ex -0.1212934E+00 Delta_ec 0.2089723E-01 Delta_et -0.2893810E+00 Pxc 0.7761842E+01 Qxc -0.5804282E+01 3,-1 73 3 -1 2.839702 -1.990279 0.758645 Rho 0.1094296E+00 |GRAD(Rho)| 0.1604625E-13 GRAD(Rho)x 0.1276327E-13 GRAD(Rho)y -0.9253266E-14 GRAD(Rho)z -0.2993015E-14 Laplacian 0.4358498E+00 (-1/4)Del**2(Rho)) -0.1089624E+00 Diamond 0.6104951E+00 Metallicity 0.3958233E+01 Ellipticity 0.1807669E-01 Gb(Abramov) 0.1445247E+00 Vb(Abramov) -0.1800870E+00 Hb(Abramov) -0.3556230E-01 Ex_ueg -0.3865732E-01 Ec_ueg -0.5899723E-02 Delta_ex -0.4347527E-01 Delta_ec 0.1207973E-01 Delta_et -0.1529243E+00 Pxc 0.6552395E+01 Qxc -0.3599026E+01 3,-1 74 3 -1 2.512571 -1.845412 -0.662186 Rho 0.1402600E+00 |GRAD(Rho)| 0.1322187E-11 GRAD(Rho)x 0.3274893E-12 GRAD(Rho)y 0.9701599E-12 GRAD(Rho)z -0.8364927E-12 Laplacian 0.5974561E+00 (-1/4)Del**2(Rho)) -0.1493640E+00 Diamond 0.1134861E+01 Metallicity 0.4367140E+01 Ellipticity 0.2821884E-01 Gb(Abramov) 0.2082916E+00 Vb(Abramov) -0.2672192E+00 Hb(Abramov) -0.5892758E-01 Ex_ueg -0.5382247E-01 Ec_ueg -0.7822961E-02 Delta_ex -0.6331086E-01 Delta_ec 0.1575989E-01 Delta_et -0.2084943E+00 Pxc 0.6880064E+01 Qxc -0.4017214E+01 3,-1 75 3 -1 2.975283 3.494703 0.103560 Rho 0.2474728E+00 |GRAD(Rho)| 0.6088791E-12 GRAD(Rho)x -0.4032275E-12 GRAD(Rho)y -0.4480616E-12 GRAD(Rho)z -0.8591947E-13 Laplacian 0.8663882E+00 (-1/4)Del**2(Rho)) -0.2165970E+00 Diamond 0.3206296E+01 Metallicity 0.7758534E+01 Ellipticity 0.4224992E-02 Gb(Abramov) 0.4244773E+00 Vb(Abramov) -0.6323576E+00 Hb(Abramov) -0.2078803E+00 Ex_ueg -0.1147506E+00 Ec_ueg -0.1495721E-01 Delta_ex -0.1056580E+00 Delta_ec 0.1921031E-01 Delta_et -0.2674672E+00 Pxc 0.7671924E+01 Qxc -0.5500067E+01 3,-1 76 3 -1 1.618392 1.824075 -0.442611 Rho 0.3172958E-01 |GRAD(Rho)| 0.1202205E-14 GRAD(Rho)x -0.7504050E-16 GRAD(Rho)y 0.1036960E-14 GRAD(Rho)z -0.6036390E-15 Laplacian 0.1232782E+00 (-1/4)Del**2(Rho)) -0.3081955E-01 Diamond 0.3321875E-01 Metallicity 0.1777601E+01 Ellipticity 0.1292764E+00 Gb(Abramov) 0.2967717E-01 Vb(Abramov) -0.2853480E-01 Hb(Abramov) 0.1142375E-02 Ex_ueg -0.7418866E-02 Ec_ueg -0.1433161E-02 Delta_ex -0.9030850E-02 Delta_ec 0.3619662E-02 Delta_et -0.3376785E-01 Pxc 0.5176574E+01 Qxc -0.2494943E+01 3,-1 77 3 -1 -2.941075 -0.595546 1.620521 Rho 0.1669620E+00 |GRAD(Rho)| 0.1730317E-15 GRAD(Rho)x -0.4110481E-16 GRAD(Rho)y 0.5960401E-16 GRAD(Rho)z 0.1571551E-15 Laplacian 0.6633010E+00 (-1/4)Del**2(Rho)) -0.1658252E+00 Diamond 0.1560883E+01 Metallicity 0.5259346E+01 Ellipticity 0.1293431E+00 Gb(Abramov) 0.2559056E+00 Vb(Abramov) -0.3459859E+00 Hb(Abramov) -0.9008030E-01 Ex_ueg -0.6790083E-01 Ec_ueg -0.9538023E-02 Delta_ex -0.7342420E-01 Delta_ec 0.1687587E-01 Delta_et -0.2291242E+00 Pxc 0.7118963E+01 Qxc -0.4350839E+01 3,-1 78 3 -1 -3.171038 -0.115395 2.999820 Rho 0.2637365E+00 |GRAD(Rho)| 0.3273391E-15 GRAD(Rho)x 0.2001437E-15 GRAD(Rho)y 0.8271107E-16 GRAD(Rho)z 0.2454634E-15 Laplacian 0.9814378E+00 (-1/4)Del**2(Rho)) -0.2453595E+00 Diamond 0.3870133E+01 Metallicity 0.7615541E+01 Ellipticity 0.1183670E-02 Gb(Abramov) 0.4749971E+00 Vb(Abramov) -0.7046348E+00 Hb(Abramov) -0.2296377E+00 Ex_ueg -0.1249143E+00 Ec_ueg -0.1609537E-01 Delta_ex -0.1214645E+00 Delta_ec 0.2091477E-01 Delta_et -0.2895109E+00 Pxc 0.7760883E+01 Qxc -0.5807596E+01 3,-1 79 3 -1 -1.816021 -0.687787 2.548477 Rho 0.1397998E+00 |GRAD(Rho)| 0.3026380E-13 GRAD(Rho)x -0.2283582E-13 GRAD(Rho)y 0.1908302E-13 GRAD(Rho)z -0.5501032E-14 Laplacian 0.5960435E+00 (-1/4)Del**2(Rho)) -0.1490109E+00 Diamond 0.1127670E+01 Metallicity 0.4353578E+01 Ellipticity 0.2836765E-01 Gb(Abramov) 0.2074623E+00 Vb(Abramov) -0.2659138E+00 Hb(Abramov) -0.5845145E-01 Ex_ueg -0.5358715E-01 Ec_ueg -0.7793789E-02 Delta_ex -0.6311037E-01 Delta_ec 0.1573418E-01 Delta_et -0.2080459E+00 Pxc 0.6875622E+01 Qxc -0.4011036E+01 3,-1 80 3 -1 -1.683234 0.430958 1.584041 Rho 0.5522547E-01 |GRAD(Rho)| 0.6258768E-15 GRAD(Rho)x -0.5100638E-15 GRAD(Rho)y -0.1727164E-15 GRAD(Rho)z 0.3189448E-15 Laplacian 0.2089660E+00 (-1/4)Del**2(Rho)) -0.5224150E-01 Diamond 0.1191126E+00 Metallicity 0.2641009E+01 Ellipticity 0.3205286E-01 Gb(Abramov) 0.5782271E-01 Vb(Abramov) -0.6340392E-01 Hb(Abramov) -0.5581214E-02 Ex_ueg -0.1553237E-01 Ec_ueg -0.2705691E-02 Delta_ex -0.1755707E-01 Delta_ec 0.6077105E-02 Delta_et -0.6569892E-01 Pxc 0.5740628E+01 Qxc -0.2889051E+01 3,-1 81 3 -1 -1.967629 0.738268 2.857286 Rho 0.1106933E+00 |GRAD(Rho)| 0.4324684E-15 GRAD(Rho)x -0.2518602E-15 GRAD(Rho)y -0.2805441E-15 GRAD(Rho)z -0.2118734E-15 Laplacian 0.4409745E+00 (-1/4)Del**2(Rho)) -0.1102436E+00 Diamond 0.6264648E+00 Metallicity 0.3987819E+01 Ellipticity 0.1837623E-01 Gb(Abramov) 0.1467677E+00 Vb(Abramov) -0.1832918E+00 Hb(Abramov) -0.3652407E-01 Ex_ueg -0.3925368E-01 Ec_ueg -0.5977249E-02 Delta_ex -0.4410819E-01 Delta_ec 0.1219523E-01 Delta_et -0.1547284E+00 Pxc 0.6567182E+01 Qxc -0.3616840E+01 3,-1 82 3 +1 -0.859726 1.379496 2.117415 Rho 0.2528288E-01 |GRAD(Rho)| 0.2407610E-16 GRAD(Rho)x 0.7701217E-19 GRAD(Rho)y -0.1929941E-17 GRAD(Rho)z -0.2399850E-16 Laplacian 0.9819192E-01 (-1/4)Del**2(Rho)) -0.2454798E-01 Diamond 0.1178564E-01 Metallicity 0.1528440E+01 Ellipticity -0.2590901E+01 Gb(Abramov) 0.2261867E-01 Vb(Abramov) -0.2068937E-01 Hb(Abramov) 0.1929308E-02 Ex_ueg -0.5480504E-02 Ec_ueg -0.1102967E-02 Delta_ex -0.5990882E-02 Delta_ec 0.1426085E-02 Delta_et -0.1267676E-01 Pxc 0.4968872E+01 Qxc -0.4200930E+01 3,+1 83 3 +1 -2.065410 1.313404 1.083437 Rho 0.2896317E-01 |GRAD(Rho)| 0.3502330E-16 GRAD(Rho)x -0.2266660E-16 GRAD(Rho)y -0.9651315E-17 GRAD(Rho)z 0.2489394E-16 Laplacian 0.1168971E+00 (-1/4)Del**2(Rho)) -0.2922427E-01 Diamond 0.1931281E-01 Metallicity 0.1610224E+01 Ellipticity -0.5752148E+01 Gb(Abramov) 0.2732579E-01 Vb(Abramov) -0.2542730E-01 Hb(Abramov) 0.1898485E-02 Ex_ueg -0.6569212E-02 Ec_ueg -0.1290251E-02 Delta_ex -0.7615747E-02 Delta_ec 0.2077477E-02 Delta_et -0.1899063E-01 Pxc 0.5091420E+01 Qxc -0.3665862E+01 3,+1 84 3 +3 -1.772571 1.926383 1.927953 Rho 0.1212955E-01 |GRAD(Rho)| 0.1363499E-16 GRAD(Rho)x 0.1131257E-16 GRAD(Rho)y 0.3962225E-17 GRAD(Rho)z -0.6499200E-17 Laplacian 0.5051988E-01 (-1/4)Del**2(Rho)) -0.1262997E-01 Diamond 0.1242101E-02 Metallicity 0.8734238E+00 Ellipticity -0.8048894E+00 Gb(Abramov) 0.1025853E-01 Vb(Abramov) -0.7887096E-02 Hb(Abramov) 0.2371437E-02 Ex_ueg -0.2058311E-02 Ec_ueg -0.4655526E-03 Delta_ex -0.2258930E-02 Delta_ec 0.2426192E-03 Delta_et -0.2139672E-02 Pxc 0.4421222E+01 Qxc -0.9310602E+01 3,+3 85 3 +1 1.831612 1.824845 1.832423 Rho 0.1153993E-01 |GRAD(Rho)| 0.2511911E-17 GRAD(Rho)x -0.2061118E-17 GRAD(Rho)y -0.9332267E-18 GRAD(Rho)z 0.1091136E-17 Laplacian 0.5729398E-01 (-1/4)Del**2(Rho)) -0.1432349E-01 Diamond 0.2208145E-02 Metallicity 0.7087771E+00 Ellipticity -0.1250465E+01 Gb(Abramov) 0.1124102E-01 Vb(Abramov) -0.8158553E-02 Hb(Abramov) 0.3082471E-02 Ex_ueg -0.1925999E-02 Ec_ueg -0.4383726E-03 Delta_ex -0.2797198E-02 Delta_ec 0.7611623E-03 Delta_et -0.5639324E-02 Pxc 0.4393521E+01 Qxc -0.3674904E+01 3,+1 86 3 +1 -0.606091 0.478878 -1.857153 Rho 0.6338660E-02 |GRAD(Rho)| 0.5375908E-16 GRAD(Rho)x 0.4049447E-16 GRAD(Rho)y 0.1183809E-16 GRAD(Rho)z 0.3331811E-16 Laplacian 0.2653002E-01 (-1/4)Del**2(Rho)) -0.6632505E-02 Diamond 0.6157314E-03 Metallicity 0.5639033E+00 Ellipticity -0.1556310E+01 Gb(Abramov) 0.5045019E-02 Vb(Abramov) -0.3457532E-02 Hb(Abramov) 0.1587486E-02 Ex_ueg -0.8663931E-03 Ec_ueg -0.2049680E-03 Delta_ex -0.1222537E-02 Delta_ec 0.5507852E-03 Delta_et -0.3322743E-02 Pxc 0.4226968E+01 Qxc -0.2219626E+01 3,+1 87 3 -1 -0.396673 0.307331 0.335617 Rho 0.1819338E+00 |GRAD(Rho)| 0.6349373E-16 GRAD(Rho)x -0.3097834E-16 GRAD(Rho)y -0.5115765E-16 GRAD(Rho)z 0.2132349E-16 Laplacian 0.5349238E+00 (-1/4)Del**2(Rho)) -0.1337309E+00 Diamond 0.1525651E+01 Metallicity 0.7525068E+01 Ellipticity 0.1020891E-01 Gb(Abramov) 0.2568764E+00 Vb(Abramov) -0.3800218E+00 Hb(Abramov) -0.1231454E+00 Ex_ueg -0.7613828E-01 Ec_ueg -0.1051821E-01 Delta_ex -0.6149644E-01 Delta_ec 0.1510193E-01 Delta_et -0.2124229E+00 Pxc 0.7238713E+01 Qxc -0.4072091E+01 3,-1 88 3 -1 -0.453381 1.610509 1.855059 Rho 0.2908584E-01 |GRAD(Rho)| 0.1973755E-14 GRAD(Rho)x -0.1362072E-14 GRAD(Rho)y -0.1425533E-14 GRAD(Rho)z -0.9123418E-16 Laplacian 0.1121507E+00 (-1/4)Del**2(Rho)) -0.2803767E-01 Diamond 0.2642187E-01 Metallicity 0.1690235E+01 Ellipticity 0.1931123E+00 Gb(Abramov) 0.2659016E-01 Vb(Abramov) -0.2514264E-01 Hb(Abramov) 0.1447514E-02 Ex_ueg -0.6606333E-02 Ec_ueg -0.1296551E-02 Delta_ex -0.8005767E-02 Delta_ec 0.3226794E-02 Delta_et -0.2939071E-01 Pxc 0.5095315E+01 Qxc -0.2481028E+01 3,-1 89 3 -1 -0.638494 1.591267 -2.957918 Rho 0.1549318E+00 |GRAD(Rho)| 0.8719601E-15 GRAD(Rho)x -0.3423910E-15 GRAD(Rho)y -0.7641186E-15 GRAD(Rho)z -0.2433221E-15 Laplacian 0.6065343E+00 (-1/4)Del**2(Rho)) -0.1516336E+00 Diamond 0.1295549E+01 Metallicity 0.5077601E+01 Ellipticity 0.1507442E+00 Gb(Abramov) 0.2294115E+00 Vb(Abramov) -0.3071895E+00 Hb(Abramov) -0.7777795E-01 Ex_ueg -0.6145715E-01 Ec_ueg -0.8759962E-02 Delta_ex -0.6582619E-01 Delta_ec 0.1556711E-01 Delta_et -0.2088739E+00 Pxc 0.7015686E+01 Qxc -0.4228544E+01 3,-1 90 3 +3 0.027946 2.515233 0.023829 Rho 0.3697034E-02 |GRAD(Rho)| 0.1386196E-13 GRAD(Rho)x -0.1373998E-13 GRAD(Rho)y -0.1833245E-14 GRAD(Rho)z 0.7966435E-16 Laplacian 0.1512474E-01 (-1/4)Del**2(Rho)) -0.3781185E-02 Diamond 0.1379723E-03 Metallicity 0.4027302E+00 Ellipticity -0.5602202E+00 Gb(Abramov) 0.2774590E-02 Vb(Abramov) -0.1767994E-02 Hb(Abramov) 0.1006595E-02 Ex_ueg -0.4222046E-03 Ec_ueg -0.9127911E-04 Delta_ex -0.5754485E-03 Delta_ec 0.2353389E-03 Delta_et -0.1266570E-02 Pxc 0.4625423E+01 Qxc -0.2445191E+01 3,+3 91 3 -1 0.427177 1.559658 -1.686387 Rho 0.4588449E-01 |GRAD(Rho)| 0.6192043E-14 GRAD(Rho)x 0.3617317E-14 GRAD(Rho)y 0.4788806E-14 GRAD(Rho)z 0.1524383E-14 Laplacian 0.1751307E+00 (-1/4)Del**2(Rho)) -0.4378267E-01 Diamond 0.7943720E-01 Metallicity 0.2313986E+01 Ellipticity 0.4018313E-01 Gb(Abramov) 0.4607386E-01 Vb(Abramov) -0.4836505E-01 Hb(Abramov) -0.2291194E-02 Ex_ueg -0.1213220E-01 Ec_ueg -0.2188679E-02 Delta_ex -0.1412939E-01 Delta_ec 0.5259744E-02 Delta_et -0.5423296E-01 Pxc 0.5543161E+01 Qxc -0.2686327E+01 3,-1 92 3 -1 0.789440 1.767203 -2.941582 Rho 0.1191007E+00 |GRAD(Rho)| 0.9259286E-13 GRAD(Rho)x -0.7352336E-13 GRAD(Rho)y 0.5155858E-13 GRAD(Rho)z 0.2257136E-13 Laplacian 0.4562498E+00 (-1/4)Del**2(Rho)) -0.1140624E+00 Diamond 0.7072164E+00 Metallicity 0.4354458E+01 Ellipticity 0.2201232E-01 Gb(Abramov) 0.1588216E+00 Vb(Abramov) -0.2035808E+00 Hb(Abramov) -0.4475920E-01 Ex_ueg -0.4327834E-01 Ec_ueg -0.6495974E-02 Delta_ex -0.4642389E-01 Delta_ec 0.1239263E-01 Delta_et -0.1593286E+00 Pxc 0.6662332E+01 Qxc -0.3746089E+01 3,-1 93 3 -1 1.805465 0.612886 -1.557013 Rho 0.4554835E-01 |GRAD(Rho)| 0.1788673E-15 GRAD(Rho)x 0.1391023E-15 GRAD(Rho)y -0.3245375E-16 GRAD(Rho)z -0.1076606E-15 Laplacian 0.1758788E+00 (-1/4)Del**2(Rho)) -0.4396970E-01 Diamond 0.7647395E-01 Metallicity 0.2276079E+01 Ellipticity 0.3821183E-01 Gb(Abramov) 0.4599289E-01 Vb(Abramov) -0.4801607E-01 Hb(Abramov) -0.2023186E-02 Ex_ueg -0.1201384E-01 Ec_ueg -0.2170322E-02 Delta_ex -0.1404125E-01 Delta_ec 0.5063841E-02 Delta_et -0.5206603E-01 Pxc 0.5535511E+01 Qxc -0.2772846E+01 3,-1 94 3 -1 1.724928 2.941929 0.705492 Rho 0.1665814E+00 |GRAD(Rho)| 0.1970745E-15 GRAD(Rho)x 0.1099381E-15 GRAD(Rho)y 0.2575997E-16 GRAD(Rho)z -0.1615190E-15 Laplacian 0.6972259E+00 (-1/4)Del**2(Rho)) -0.1743065E+00 Diamond 0.1578751E+01 Metallicity 0.4984446E+01 Ellipticity 0.3523310E-01 Gb(Abramov) 0.2610079E+00 Vb(Abramov) -0.3477093E+00 Hb(Abramov) -0.8670140E-01 Ex_ueg -0.6769453E-01 Ec_ueg -0.9513276E-02 Delta_ex -0.7663807E-01 Delta_ec 0.1686043E-01 Delta_et -0.2265357E+00 Pxc 0.7115796E+01 Qxc -0.4545440E+01 3,-1 95 3 -1 2.965003 2.212926 -0.722185 Rho 0.8807384E-01 |GRAD(Rho)| 0.1951549E-15 GRAD(Rho)x -0.5461499E-16 GRAD(Rho)y 0.6582293E-16 GRAD(Rho)z 0.1754137E-15 Laplacian 0.3504586E+00 (-1/4)Del**2(Rho)) -0.8761465E-01 Diamond 0.3729373E+00 Metallicity 0.3428109E+01 Ellipticity 0.1977526E-01 Gb(Abramov) 0.1084685E+00 Vb(Abramov) -0.1293224E+00 Hb(Abramov) -0.2085388E-01 Ex_ueg -0.2894105E-01 Ec_ueg -0.4608461E-02 Delta_ex -0.3314701E-01 Delta_ec 0.1001025E-01 Delta_et -0.1211013E+00 Pxc 0.6279981E+01 Qxc -0.3311309E+01 3,-1 96 3 -1 1.836640 3.074993 -0.800685 Rho 0.1669102E+00 |GRAD(Rho)| 0.2418563E-15 GRAD(Rho)x -0.8647868E-16 GRAD(Rho)y 0.4019680E-16 GRAD(Rho)z -0.2222614E-15 Laplacian 0.6337810E+00 (-1/4)Del**2(Rho)) -0.1584453E+00 Diamond 0.1457268E+01 Metallicity 0.5501471E+01 Ellipticity 0.5351667E-01 Gb(Abramov) 0.2509105E+00 Vb(Abramov) -0.3433758E+00 Hb(Abramov) -0.9246525E-01 Ex_ueg -0.6787278E-01 Ec_ueg -0.9534659E-02 Delta_ex -0.6986088E-01 Delta_ec 0.1560793E-01 Delta_et -0.2105495E+00 Pxc 0.7118533E+01 Qxc -0.4475986E+01 3,-1 97 3 -1 3.091849 -0.797172 1.865395 Rho 0.1645834E+00 |GRAD(Rho)| 0.4203151E-15 GRAD(Rho)x -0.1584968E-16 GRAD(Rho)y -0.4034858E-15 GRAD(Rho)z -0.1166737E-15 Laplacian 0.6283347E+00 (-1/4)Del**2(Rho)) -0.1570837E+00 Diamond 0.1419645E+01 Metallicity 0.5420825E+01 Ellipticity 0.5039517E-01 Gb(Abramov) 0.2466430E+00 Vb(Abramov) -0.3362023E+00 Hb(Abramov) -0.8955931E-01 Ex_ueg -0.6661413E-01 Ec_ueg -0.9383505E-02 Delta_ex -0.6901035E-01 Delta_ec 0.1551476E-01 Delta_et -0.2088999E+00 Pxc 0.7099067E+01 Qxc -0.4448046E+01 3,-1 98 3 -1 3.517002 0.125662 2.992037 Rho 0.2480538E+00 |GRAD(Rho)| 0.2116263E-15 GRAD(Rho)x -0.1413800E-15 GRAD(Rho)y 0.2135878E-16 GRAD(Rho)z -0.1560167E-15 Laplacian 0.8633046E+00 (-1/4)Del**2(Rho)) -0.2158262E+00 Diamond 0.3208206E+01 Metallicity 0.7816739E+01 Ellipticity 0.3652161E-02 Gb(Abramov) 0.4250602E+00 Vb(Abramov) -0.6342943E+00 Hb(Abramov) -0.2092341E+00 Ex_ueg -0.1151100E+00 Ec_ueg -0.1499763E-01 Delta_ex -0.1053684E+00 Delta_ec 0.1916752E-01 Delta_et -0.2670682E+00 Pxc 0.7675213E+01 Qxc -0.5497237E+01 3,-1 99 3 -1 3.421989 0.162115 -2.950765 Rho 0.2576732E+00 |GRAD(Rho)| 0.4658641E-14 GRAD(Rho)x -0.3011805E-14 GRAD(Rho)y 0.1195224E-14 GRAD(Rho)z 0.3347149E-14 Laplacian 0.9442879E+00 (-1/4)Del**2(Rho)) -0.2360720E+00 Diamond 0.3609142E+01 Metallicity 0.7614199E+01 Ellipticity 0.3499793E-02 Gb(Abramov) 0.4569645E+00 Vb(Abramov) -0.6778570E+00 Hb(Abramov) -0.2208925E+00 Ex_ueg -0.1211000E+00 Ec_ueg -0.1566936E-01 Delta_ex -0.1160954E+00 Delta_ec 0.2016847E-01 Delta_et -0.2786460E+00 Pxc 0.7728458E+01 Qxc -0.5756280E+01 3,-1 100 3 -1 2.953184 0.704300 1.734787 Rho 0.1688278E+00 |GRAD(Rho)| 0.4740761E-12 GRAD(Rho)x -0.6706183E-14 GRAD(Rho)y -0.3551609E-12 GRAD(Rho)z 0.3139488E-12 Laplacian 0.7051495E+00 (-1/4)Del**2(Rho)) -0.1762874E+00 Diamond 0.1620950E+01 Metallicity 0.5039705E+01 Ellipticity 0.3562384E-01 Gb(Abramov) 0.2655976E+00 Vb(Abramov) -0.3549079E+00 Hb(Abramov) -0.8931027E-01 Ex_ueg -0.6891444E-01 Ec_ueg -0.9659464E-02 Delta_ex -0.7775556E-01 Delta_ec 0.1696793E-01 Delta_et -0.2282554E+00 Pxc 0.7134396E+01 Qxc -0.4582500E+01 3,-1 101 3 +1 -1.862071 1.998076 2.006677 Rho 0.1216287E-01 |GRAD(Rho)| 0.1408421E-16 GRAD(Rho)x -0.1224164E-16 GRAD(Rho)y -0.6749618E-17 GRAD(Rho)z -0.1717565E-17 Laplacian 0.5105445E-01 (-1/4)Del**2(Rho)) -0.1276361E-01 Diamond 0.1579227E-02 Metallicity 0.8682392E+00 Ellipticity -0.1140236E+01 Gb(Abramov) 0.1035605E-01 Vb(Abramov) -0.7948494E-02 Hb(Abramov) 0.2407559E-02 Ex_ueg -0.2065854E-02 Ec_ueg -0.4670927E-03 Delta_ex -0.2375244E-02 Delta_ec 0.4069233E-03 Delta_et -0.3256442E-02 Pxc 0.4422792E+01 Qxc -0.5837081E+01 3,+1 102 3 -1 0.095969 -2.092510 -0.967648 Rho 0.7660672E-02 |GRAD(Rho)| 0.7340218E-15 GRAD(Rho)x 0.1890120E-15 GRAD(Rho)y 0.4211617E-15 GRAD(Rho)z 0.5706884E-15 Laplacian 0.3190398E-01 (-1/4)Del**2(Rho)) -0.7975996E-02 Diamond 0.1825813E-02 Metallicity 0.6430030E+00 Ellipticity 0.2723145E+00 Gb(Abramov) 0.6172095E-02 Vb(Abramov) -0.4368195E-02 Hb(Abramov) 0.1803900E-02 Ex_ueg -0.1115341E-02 Ec_ueg -0.2631500E-03 Delta_ex -0.1992076E-02 Delta_ec 0.1478078E-02 Delta_et -0.8941833E-02 Pxc 0.4238422E+01 Qxc -0.1347748E+01 3,-1 103 3 -1 -2.848750 2.137598 0.924382 Rho 0.1710964E+00 |GRAD(Rho)| 0.9204435E-15 GRAD(Rho)x 0.5284130E-15 GRAD(Rho)y 0.5654385E-15 GRAD(Rho)z -0.4982722E-15 Laplacian 0.6654073E+00 (-1/4)Del**2(Rho)) -0.1663518E+00 Diamond 0.1592293E+01 Metallicity 0.5460853E+01 Ellipticity 0.4745394E-01 Gb(Abramov) 0.2623050E+00 Vb(Abramov) -0.3582582E+00 Hb(Abramov) -0.9595320E-01 Ex_ueg -0.7015193E-01 Ec_ueg -0.9807399E-02 Delta_ex -0.7393691E-01 Delta_ec 0.1652272E-01 Delta_et -0.2242056E+00 Pxc 0.7152960E+01 Qxc -0.4474864E+01 3,-1 104 3 -1 0.134439 2.990643 3.517934 Rho 0.2483269E+00 |GRAD(Rho)| 0.9191484E-13 GRAD(Rho)x -0.1986097E-13 GRAD(Rho)y -0.6065574E-13 GRAD(Rho)z -0.6614197E-13 Laplacian 0.8633160E+00 (-1/4)Del**2(Rho)) -0.2158290E+00 Diamond 0.3213738E+01 Metallicity 0.7830983E+01 Ellipticity 0.3910354E-02 Gb(Abramov) 0.4255782E+00 Vb(Abramov) -0.6353274E+00 Hb(Abramov) -0.2097492E+00 Ex_ueg -0.1152790E+00 Ec_ueg -0.1501663E-01 Delta_ex -0.1054064E+00 Delta_ec 0.1917270E-01 Delta_et -0.2672008E+00 Pxc 0.7676756E+01 Qxc -0.5497734E+01 3,-1 105 3 -1 -0.150716 2.955004 -3.182222 Rho 0.2538030E+00 |GRAD(Rho)| 0.4723948E-10 GRAD(Rho)x -0.5761619E-11 GRAD(Rho)y 0.3458064E-10 GRAD(Rho)z -0.3166310E-10 Laplacian 0.9256682E+00 (-1/4)Del**2(Rho)) -0.2314170E+00 Diamond 0.3531323E+01 Metallicity 0.7573889E+01 Ellipticity 0.2081531E-02 Gb(Abramov) 0.4463992E+00 Vb(Abramov) -0.6613814E+00 Hb(Abramov) -0.2149822E+00 Ex_ueg -0.1186808E+00 Ec_ueg -0.1539849E-01 Delta_ex -0.1136360E+00 Delta_ec 0.2036820E-01 Delta_et -0.2837844E+00 Pxc 0.7707306E+01 Qxc -0.5579089E+01 3,-1 106 3 -1 -0.783755 1.855861 3.099464 Rho 0.1634238E+00 |GRAD(Rho)| 0.4469459E-13 GRAD(Rho)x 0.3669892E-13 GRAD(Rho)y 0.2492876E-13 GRAD(Rho)z -0.5417853E-14 Laplacian 0.6243351E+00 (-1/4)Del**2(Rho)) -0.1560838E+00 Diamond 0.1398575E+01 Metallicity 0.5391638E+01 Ellipticity 0.4965775E-01 Gb(Abramov) 0.2443137E+00 Vb(Abramov) -0.3325436E+00 Hb(Abramov) -0.8822994E-01 Ex_ueg -0.6598906E-01 Ec_ueg -0.9308293E-02 Delta_ex -0.6844956E-01 Delta_ec 0.1544222E-01 Delta_et -0.2077394E+00 Pxc 0.7089276E+01 Qxc -0.4432623E+01 3,-1 107 3 +1 1.320405 2.105921 -0.934833 Rho 0.2588011E-01 |GRAD(Rho)| 0.4762412E-15 GRAD(Rho)x 0.1999506E-15 GRAD(Rho)y 0.4172118E-15 GRAD(Rho)z -0.1129593E-15 Laplacian 0.1024867E+00 (-1/4)Del**2(Rho)) -0.2562168E-01 Diamond 0.1411688E-01 Metallicity 0.1522494E+01 Ellipticity -0.3868635E+01 Gb(Abramov) 0.2358260E-01 Vb(Abramov) -0.2154351E-01 Hb(Abramov) 0.2039082E-02 Ex_ueg -0.5653792E-02 Ec_ueg -0.1133128E-02 Delta_ex -0.6439457E-02 Delta_ec 0.1750004E-02 Delta_et -0.1557627E-01 Pxc 0.4989546E+01 Qxc -0.3679682E+01 3,+1 108 3 +1 2.152249 1.502326 -0.929584 Rho 0.2006909E-01 |GRAD(Rho)| 0.3968483E-16 GRAD(Rho)x -0.6906118E-17 GRAD(Rho)y 0.1971317E-16 GRAD(Rho)z 0.3374289E-16 Laplacian 0.7048219E-01 (-1/4)Del**2(Rho)) -0.1762055E-01 Diamond 0.5232059E-02 Metallicity 0.1449038E+01 Ellipticity -0.1916345E+01 Gb(Abramov) 0.1600251E-01 Vb(Abramov) -0.1438447E-01 Hb(Abramov) 0.1618042E-02 Ex_ueg -0.4027992E-02 Ec_ueg -0.8438080E-03 Delta_ex -0.3905228E-02 Delta_ec 0.7847542E-03 Delta_et -0.6711172E-02 Pxc 0.4773588E+01 Qxc -0.4976371E+01 3,+1 109 3 -1 3.185408 1.087383 -1.795331 Rho 0.2044866E+00 |GRAD(Rho)| 0.9227992E-12 GRAD(Rho)x -0.3709465E-12 GRAD(Rho)y -0.6803362E-12 GRAD(Rho)z -0.5010985E-12 Laplacian 0.7584684E+00 (-1/4)Del**2(Rho)) -0.1896171E+00 Diamond 0.2257417E+01 Metallicity 0.6448376E+01 Ellipticity 0.5492039E-01 Gb(Abramov) 0.3301984E+00 Vb(Abramov) -0.4707798E+00 Hb(Abramov) -0.1405814E+00 Ex_ueg -0.8897571E-01 Ec_ueg -0.1201882E-01 Delta_ex -0.8821480E-01 Delta_ec 0.1806931E-01 Delta_et -0.2500116E+00 Pxc 0.7403032E+01 Qxc -0.4882024E+01 3,-1 110 3 -1 0.331519 0.308335 -0.379137 Rho 0.1830103E+00 |GRAD(Rho)| 0.4212051E-16 GRAD(Rho)x 0.1034453E-16 GRAD(Rho)y 0.3746830E-16 GRAD(Rho)z -0.1622511E-16 Laplacian 0.5434567E+00 (-1/4)Del**2(Rho)) -0.1358642E+00 Diamond 0.1559118E+01 Metallicity 0.7480103E+01 Ellipticity 0.4178350E-02 Gb(Abramov) 0.2599558E+00 Vb(Abramov) -0.3840474E+00 Hb(Abramov) -0.1240916E+00 Ex_ueg -0.7673954E-01 Ec_ueg -0.1058918E-01 Delta_ex -0.6255314E-01 Delta_ec 0.1529485E-01 Delta_et -0.2152538E+00 Pxc 0.7246977E+01 Qxc -0.4089818E+01 3,-1 111 3 -1 1.599952 -2.981328 -0.564806 Rho 0.1670113E+00 |GRAD(Rho)| 0.1345878E-13 GRAD(Rho)x 0.9748631E-14 GRAD(Rho)y 0.5615869E-14 GRAD(Rho)z 0.7386805E-14 Laplacian 0.6637752E+00 (-1/4)Del**2(Rho)) -0.1659438E+00 Diamond 0.1562294E+01 Metallicity 0.5258179E+01 Ellipticity 0.1298866E+00 Gb(Abramov) 0.2560562E+00 Vb(Abramov) -0.3461687E+00 Hb(Abramov) -0.9011243E-01 Ex_ueg -0.6792761E-01 Ec_ueg -0.9541234E-02 Delta_ex -0.7347984E-01 Delta_ec 0.1688267E-01 Delta_et -0.2292148E+00 Pxc 0.7119373E+01 Qxc -0.4352382E+01 3,-1 112 3 -1 1.791456 -2.956727 0.865397 Rho 0.1283151E+00 |GRAD(Rho)| 0.1643260E-13 GRAD(Rho)x 0.7618079E-14 GRAD(Rho)y -0.1445359E-13 GRAD(Rho)z -0.1757600E-14 Laplacian 0.4968535E+00 (-1/4)Del**2(Rho)) -0.1242134E+00 Diamond 0.8499326E+00 Metallicity 0.4527388E+01 Ellipticity 0.1708601E-01 Gb(Abramov) 0.1765359E+00 Vb(Abramov) -0.2288585E+00 Hb(Abramov) -0.5232257E-01 Ex_ueg -0.4779936E-01 Ec_ueg -0.7070183E-02 Delta_ex -0.5155617E-01 Delta_ec 0.1342854E-01 Delta_et -0.1751792E+00 Pxc 0.6760696E+01 Qxc -0.3839298E+01 3,-1 113 3 -1 1.843735 -0.467397 1.633229 Rho 0.2954549E-01 |GRAD(Rho)| 0.3455384E-12 GRAD(Rho)x 0.2117522E-12 GRAD(Rho)y -0.2471854E-12 GRAD(Rho)z -0.1160049E-12 Laplacian 0.1139119E+00 (-1/4)Del**2(Rho)) -0.2847797E-01 Diamond 0.2745478E-01 Metallicity 0.1708164E+01 Ellipticity 0.1825639E+00 Gb(Abramov) 0.2709282E-01 Vb(Abramov) -0.2570767E-01 Hb(Abramov) 0.1385151E-02 Ex_ueg -0.6745902E-02 Ec_ueg -0.1320187E-02 Delta_ex -0.8166053E-02 Delta_ec 0.3283336E-02 Delta_et -0.3003538E-01 Pxc 0.5109808E+01 Qxc -0.2487121E+01 3,-1 114 3 -1 2.041928 0.597889 2.756260 Rho 0.1075318E+00 |GRAD(Rho)| 0.8057849E-12 GRAD(Rho)x 0.6421910E-12 GRAD(Rho)y -0.4322390E-12 GRAD(Rho)z -0.2237174E-12 Laplacian 0.4446051E+00 (-1/4)Del**2(Rho)) -0.1111513E+00 Diamond 0.6078546E+00 Metallicity 0.3768775E+01 Ellipticity 0.3632231E-01 Gb(Abramov) 0.1439182E+00 Vb(Abramov) -0.1766852E+00 Hb(Abramov) -0.3276694E-01 Ex_ueg -0.3776600E-01 Ec_ueg -0.5783518E-02 Delta_ex -0.4413718E-01 Delta_ec 0.1231779E-01 Delta_et -0.1553469E+00 Pxc 0.6529936E+01 Qxc -0.3583205E+01 3,-1 115 3 -1 2.099442 0.873761 -2.837647 Rho 0.1704697E+00 |GRAD(Rho)| 0.1158041E-14 GRAD(Rho)x 0.9718788E-15 GRAD(Rho)y -0.6271296E-15 GRAD(Rho)z 0.5673088E-16 Laplacian 0.6601068E+00 (-1/4)Del**2(Rho)) -0.1650267E+00 Diamond 0.1576911E+01 Metallicity 0.5471135E+01 Ellipticity 0.4915998E-01 Gb(Abramov) 0.2604984E+00 Vb(Abramov) -0.3559700E+00 Hb(Abramov) -0.9547167E-01 Ex_ueg -0.6980950E-01 Ec_ueg -0.9766499E-02 Delta_ex -0.7331651E-01 Delta_ec 0.1647028E-01 Delta_et -0.2235710E+00 Pxc 0.7147853E+01 Qxc -0.4451442E+01 3,-1 116 3 -1 -2.935869 0.832563 1.810624 Rho 0.1268324E+00 |GRAD(Rho)| 0.1633396E-13 GRAD(Rho)x -0.1442683E-13 GRAD(Rho)y -0.1635953E-14 GRAD(Rho)z 0.7482540E-14 Laplacian 0.4916668E+00 (-1/4)Del**2(Rho)) -0.1229167E+00 Diamond 0.8291951E+00 Metallicity 0.4487378E+01 Ellipticity 0.1554914E-01 Gb(Abramov) 0.1738734E+00 Vb(Abramov) -0.2248301E+00 Hb(Abramov) -0.5095671E-01 Ex_ueg -0.4706434E-01 Ec_ueg -0.6977397E-02 Delta_ex -0.5087390E-01 Delta_ec 0.1332026E-01 Delta_et -0.1734153E+00 Pxc 0.6745258E+01 Qxc -0.3819287E+01 3,-1 117 3 -1 -1.012731 0.072095 -2.078116 Rho 0.7625855E-02 |GRAD(Rho)| 0.1254026E-16 GRAD(Rho)x 0.9182848E-18 GRAD(Rho)y -0.5740328E-17 GRAD(Rho)z 0.1111142E-16 Laplacian 0.3199994E-01 (-1/4)Del**2(Rho)) -0.7999985E-02 Diamond 0.1853728E-02 Metallicity 0.6362262E+00 Ellipticity 0.2187543E+00 Gb(Abramov) 0.6181623E-02 Vb(Abramov) -0.4363261E-02 Hb(Abramov) 0.1818362E-02 Ex_ueg -0.1108587E-02 Ec_ueg -0.2616072E-03 Delta_ex -0.2014222E-02 Delta_ec 0.1514255E-02 Delta_et -0.9139729E-02 Pxc 0.4237601E+01 Qxc -0.1330173E+01 3,-1 118 3 -1 0.911288 -2.851749 2.170101 Rho 0.1699680E+00 |GRAD(Rho)| 0.8981871E-13 GRAD(Rho)x -0.4303865E-13 GRAD(Rho)y 0.4347662E-13 GRAD(Rho)z 0.6576367E-13 Laplacian 0.6605743E+00 (-1/4)Del**2(Rho)) -0.1651436E+00 Diamond 0.1569658E+01 Metallicity 0.5440476E+01 Ellipticity 0.4752982E-01 Gb(Abramov) 0.2598390E+00 Vb(Abramov) -0.3545344E+00 Hb(Abramov) -0.9469542E-01 Ex_ueg -0.6953574E-01 Ec_ueg -0.9733781E-02 Delta_ex -0.7329101E-01 Delta_ec 0.1645232E-01 Delta_et -0.2231336E+00 Pxc 0.7143754E+01 Qxc -0.4454752E+01 3,-1 119 3 -1 0.634755 -1.589528 1.843922 Rho 0.4327424E-01 |GRAD(Rho)| 0.4291595E-16 GRAD(Rho)x 0.1959717E-17 GRAD(Rho)y 0.7021056E-17 GRAD(Rho)z 0.4229236E-16 Laplacian 0.1663930E+00 (-1/4)Del**2(Rho)) -0.4159826E-01 Diamond 0.6720714E-01 Metallicity 0.2208990E+01 Ellipticity 0.5044145E-01 Gb(Abramov) 0.4304720E-01 Vb(Abramov) -0.4449613E-01 Hb(Abramov) -0.1448937E-02 Ex_ueg -0.1122081E-01 Ec_ueg -0.2046618E-02 Delta_ex -0.1309971E-01 Delta_ec 0.4767010E-02 Delta_et -0.4835285E-01 Pxc 0.5482611E+01 Qxc -0.2747993E+01 3,-1 120 3 -1 1.114892 -1.793146 3.237442 Rho 0.2052273E+00 |GRAD(Rho)| 0.6062547E-15 GRAD(Rho)x 0.5171102E-15 GRAD(Rho)y 0.3142560E-15 GRAD(Rho)z -0.3721524E-16 Laplacian 0.7627332E+00 (-1/4)Del**2(Rho)) -0.1906833E+00 Diamond 0.2277333E+01 Metallicity 0.6451079E+01 Ellipticity 0.5498088E-01 Gb(Abramov) 0.3321411E+00 Vb(Abramov) -0.4735988E+00 Hb(Abramov) -0.1414577E+00 Ex_ueg -0.8940570E-01 Ec_ueg -0.1206859E-01 Delta_ex -0.8877519E-01 Delta_ec 0.1812179E-01 Delta_et -0.2507048E+00 Pxc 0.7408131E+01 Qxc -0.4898810E+01 3,-1 121 3 -1 0.703296 2.821456 -1.988750 Rho 0.9906428E-01 |GRAD(Rho)| 0.9404218E-16 GRAD(Rho)x -0.2033557E-16 GRAD(Rho)y 0.8777633E-16 GRAD(Rho)z 0.2693904E-16 Laplacian 0.3917873E+00 (-1/4)Del**2(Rho)) -0.9794682E-01 Diamond 0.4830789E+00 Metallicity 0.3730422E+01 Ellipticity 0.2544694E-01 Gb(Abramov) 0.1261950E+00 Vb(Abramov) -0.1544433E+00 Hb(Abramov) -0.2824823E-01 Ex_ueg -0.3385383E-01 Ec_ueg -0.5268405E-02 Delta_ex -0.3811979E-01 Delta_ec 0.1098780E-01 Delta_et -0.1362838E+00 Pxc 0.6425823E+01 Qxc -0.3469284E+01 3,-1 122 3 -1 2.234666 -0.708456 2.995308 Rho 0.8714660E-01 |GRAD(Rho)| 0.8455059E-16 GRAD(Rho)x 0.5787946E-16 GRAD(Rho)y 0.4801660E-16 GRAD(Rho)z -0.3864164E-16 Laplacian 0.3470601E+00 (-1/4)Del**2(Rho)) -0.8676502E-01 Diamond 0.3644781E+00 Metallicity 0.3401151E+01 Ellipticity 0.2185670E-01 Gb(Abramov) 0.1070268E+00 Vb(Abramov) -0.1272887E+00 Hb(Abramov) -0.2026182E-01 Ex_ueg -0.2853551E-01 Ec_ueg -0.4553257E-02 Delta_ex -0.3274315E-01 Delta_ec 0.9930134E-02 Delta_et -0.1198558E+00 Pxc 0.6267054E+01 Qxc -0.3297353E+01 3,-1 123 3 +1 1.525236 -0.937765 2.169208 Rho 0.1922056E-01 |GRAD(Rho)| 0.3721328E-16 GRAD(Rho)x -0.1890752E-16 GRAD(Rho)y 0.8527343E-18 GRAD(Rho)z -0.3204070E-16 Laplacian 0.6708378E-01 (-1/4)Del**2(Rho)) -0.1677094E-01 Diamond 0.4697023E-02 Metallicity 0.1416682E+01 Ellipticity -0.1898404E+01 Gb(Abramov) 0.1514048E-01 Vb(Abramov) -0.1351002E-01 Hb(Abramov) 0.1630465E-02 Ex_ueg -0.3802535E-02 Ec_ueg -0.8023801E-03 Delta_ex -0.3673533E-02 Delta_ec 0.7487255E-03 Delta_et -0.6343203E-02 Pxc 0.4739070E+01 Qxc -0.4906381E+01 3,+1 124 3 -1 2.740085 2.024483 0.591662 Rho 0.1056411E+00 |GRAD(Rho)| 0.1756814E-15 GRAD(Rho)x -0.3247186E-16 GRAD(Rho)y -0.1347867E-15 GRAD(Rho)z 0.1078984E-15 Laplacian 0.4367126E+00 (-1/4)Del**2(Rho)) -0.1091781E+00 Diamond 0.5843227E+00 Metallicity 0.3725110E+01 Ellipticity 0.3447122E-01 Gb(Abramov) 0.1405689E+00 Vb(Abramov) -0.1719596E+00 Hb(Abramov) -0.3139072E-01 Ex_ueg -0.3688324E-01 Ec_ueg -0.5668020E-02 Delta_ex -0.4317204E-01 Delta_ec 0.1214404E-01 Delta_et -0.1526303E+00 Pxc 0.6507253E+01 Qxc -0.3554998E+01 3,-1 125 3 -1 -0.712673 2.509679 -1.831009 Rho 0.1282634E+00 |GRAD(Rho)| 0.4612535E-15 GRAD(Rho)x 0.2195374E-15 GRAD(Rho)y -0.3851967E-16 GRAD(Rho)z -0.4038247E-15 Laplacian 0.5460956E+00 (-1/4)Del**2(Rho)) -0.1365239E+00 Diamond 0.9200240E+00 Metallicity 0.4116382E+01 Ellipticity 0.2779041E-01 Gb(Abramov) 0.1846800E+00 Vb(Abramov) -0.2328362E+00 Hb(Abramov) -0.4815613E-01 Ex_ueg -0.4777368E-01 Ec_ueg -0.7066945E-02 Delta_ex -0.5649228E-01 Delta_ec 0.1446079E-01 Delta_et -0.1880983E+00 Pxc 0.6760160E+01 Qxc -0.3906583E+01 3,-1 126 3 -1 -0.703059 2.981188 2.238208 Rho 0.8822450E-01 |GRAD(Rho)| 0.5994215E-14 GRAD(Rho)x -0.3599412E-14 GRAD(Rho)y 0.3082192E-14 GRAD(Rho)z -0.3670822E-14 Laplacian 0.3519519E+00 (-1/4)Del**2(Rho)) -0.8798798E-01 Diamond 0.3754340E+00 Metallicity 0.3423302E+01 Ellipticity 0.2214431E-01 Gb(Abramov) 0.1088602E+00 Vb(Abramov) -0.1297325E+00 Hb(Abramov) -0.2087224E-01 Ex_ueg -0.2900708E-01 Ec_ueg -0.4617439E-02 Delta_ex -0.3330397E-01 Delta_ec 0.1005403E-01 Delta_et -0.1216800E+00 Pxc 0.6282072E+01 Qxc -0.3312498E+01 3,-1 127 3 -1 0.602500 2.746921 2.041817 Rho 0.1088795E+00 |GRAD(Rho)| 0.9986002E-16 GRAD(Rho)x -0.2041688E-16 GRAD(Rho)y -0.7865548E-16 GRAD(Rho)z 0.5803870E-16 Laplacian 0.4492763E+00 (-1/4)Del**2(Rho)) -0.1123191E+00 Diamond 0.6232188E+00 Metallicity 0.3807820E+01 Ellipticity 0.3594997E-01 Gb(Abramov) 0.1461612E+00 Vb(Abramov) -0.1800033E+00 Hb(Abramov) -0.3384212E-01 Ex_ueg -0.3839840E-01 Ec_ueg -0.5866010E-02 Delta_ex -0.4472681E-01 Delta_ec 0.1240399E-01 Delta_et -0.1567931E+00 Pxc 0.6545916E+01 Qxc -0.3605841E+01 3,-1 128 3 -1 0.203737 -2.954122 3.503751 Rho 0.2582930E+00 |GRAD(Rho)| 0.4886385E-15 GRAD(Rho)x -0.2024748E-16 GRAD(Rho)y -0.2461139E-15 GRAD(Rho)z 0.4216462E-15 Laplacian 0.9417994E+00 (-1/4)Del**2(Rho)) -0.2354499E+00 Diamond 0.3613105E+01 Metallicity 0.7664948E+01 Ellipticity 0.3821012E-02 Gb(Abramov) 0.4577517E+00 Vb(Abramov) -0.6800536E+00 Hb(Abramov) -0.2223019E+00 Ex_ueg -0.1214885E+00 Ec_ueg -0.1571281E-01 Delta_ex -0.1158775E+00 Delta_ec 0.2012658E-01 Delta_et -0.2782009E+00 Pxc 0.7731812E+01 Qxc -0.5757436E+01 3,-1 129 3 -1 0.717408 1.733549 2.960157 Rho 0.1681190E+00 |GRAD(Rho)| 0.2806562E-15 GRAD(Rho)x -0.1993306E-15 GRAD(Rho)y -0.1968911E-15 GRAD(Rho)z 0.1640533E-16 Laplacian 0.7036880E+00 (-1/4)Del**2(Rho)) -0.1759220E+00 Diamond 0.1610735E+01 Metallicity 0.5014886E+01 Ellipticity 0.3564359E-01 Gb(Abramov) 0.2643194E+00 Vb(Abramov) -0.3527169E+00 Hb(Abramov) -0.8839745E-01 Ex_ueg -0.6852896E-01 Ec_ueg -0.9613308E-02 Delta_ex -0.7752371E-01 Delta_ec 0.1697114E-01 Delta_et -0.2282465E+00 Pxc 0.7128551E+01 Qxc -0.4567974E+01 3,-1 130 3 -1 2.738492 -0.472490 -1.753765 Rho 0.1560013E+00 |GRAD(Rho)| 0.2703724E-12 GRAD(Rho)x 0.2192403E-13 GRAD(Rho)y 0.2164428E-12 GRAD(Rho)z -0.1605400E-12 Laplacian 0.6690317E+00 (-1/4)Del**2(Rho)) -0.1672579E+00 Diamond 0.1422342E+01 Metallicity 0.4656363E+01 Ellipticity 0.1671070E-01 Gb(Abramov) 0.2413076E+00 Vb(Abramov) -0.3153572E+00 Hb(Abramov) -0.7404963E-01 Ex_ueg -0.6202347E-01 Ec_ueg -0.8828784E-02 Delta_ex -0.7255649E-01 Delta_ec 0.1682856E-01 Delta_et -0.2252642E+00 Pxc 0.7025142E+01 Qxc -0.4311508E+01 3,-1 131 3 -1 -1.788910 2.761983 -0.434233 Rho 0.1579671E+00 |GRAD(Rho)| 0.7098800E-14 GRAD(Rho)x -0.3928688E-14 GRAD(Rho)y 0.5862671E-15 GRAD(Rho)z 0.5883423E-14 Laplacian 0.6734924E+00 (-1/4)Del**2(Rho)) -0.1683731E+00 Diamond 0.1450499E+01 Metallicity 0.4723075E+01 Ellipticity 0.1693672E-01 Gb(Abramov) 0.2447885E+00 Vb(Abramov) -0.3212040E+00 Hb(Abramov) -0.7641543E-01 Ex_ueg -0.6306774E-01 Ec_ueg -0.8955458E-02 Delta_ex -0.7323864E-01 Delta_ec 0.1683729E-01 Delta_et -0.2256277E+00 Pxc 0.7042380E+01 Qxc -0.4349787E+01 3,-1 132 3 -1 -1.795763 3.211992 1.121706 Rho 0.2045558E+00 |GRAD(Rho)| 0.2829430E-15 GRAD(Rho)x -0.8630249E-16 GRAD(Rho)y 0.2073266E-15 GRAD(Rho)z 0.1721171E-15 Laplacian 0.7628362E+00 (-1/4)Del**2(Rho)) -0.1907091E+00 Diamond 0.2267821E+01 Metallicity 0.6415070E+01 Ellipticity 0.5436248E-01 Gb(Abramov) 0.3310414E+00 Vb(Abramov) -0.4713736E+00 Hb(Abramov) -0.1403323E+00 Ex_ueg -0.8901585E-01 Ec_ueg -0.1202347E-01 Delta_ex -0.8870728E-01 Delta_ec 0.1813031E-01 Delta_et -0.2507186E+00 Pxc 0.7403509E+01 Qxc -0.4892762E+01 3,-1 133 3 +1 2.107512 -0.885566 1.395855 Rho 0.2547897E-01 |GRAD(Rho)| 0.4439761E-16 GRAD(Rho)x -0.3599665E-16 GRAD(Rho)y 0.2585603E-16 GRAD(Rho)z -0.2618146E-17 Laplacian 0.9899951E-01 (-1/4)Del**2(Rho)) -0.2474988E-01 Diamond 0.1210172E-01 Metallicity 0.1535618E+01 Ellipticity -0.2664384E+01 Gb(Abramov) 0.2283431E-01 Vb(Abramov) -0.2091874E-01 Hb(Abramov) 0.1915568E-02 Ex_ueg -0.5537250E-02 Ec_ueg -0.1112859E-02 Delta_ex -0.6062629E-02 Delta_ec 0.1455141E-02 Delta_et -0.1295357E-01 Pxc 0.4975695E+01 Qxc -0.4166350E+01 3,+1 134 3 -1 -1.539306 1.106329 -3.909030 Rho 0.3279300E+00 |GRAD(Rho)| 0.3334190E-14 GRAD(Rho)x 0.9380187E-15 GRAD(Rho)y 0.3118608E-15 GRAD(Rho)z 0.3184287E-14 Laplacian -0.1772918E+01 (-1/4)Del**2(Rho)) 0.4432294E+00 Diamond 0.6273431E+01 Metallicity -0.6061218E+01 Ellipticity 0.5496883E-02 Gb(Abramov) 0.1522654E+00 Vb(Abramov) -0.7477601E+00 Hb(Abramov) -0.5954948E+00 Ex_ueg -0.1670167E+00 Ec_ueg -0.2072992E-01 Delta_ex 0.1786329E+00 Delta_ec 0.6118358E-01 Delta_et -0.1469522E+01 Pxc 0.8056795E+01 Qxc 0.2919622E+01 3,-1 135 3 -1 -3.901305 -1.481612 1.094059 Rho 0.3294282E+00 |GRAD(Rho)| 0.2879404E-14 GRAD(Rho)x -0.8824516E-15 GRAD(Rho)y 0.3789189E-15 GRAD(Rho)z -0.2714529E-14 Laplacian -0.1798400E+01 (-1/4)Del**2(Rho)) 0.4495999E+00 Diamond 0.6380114E+01 Metallicity -0.6020901E+01 Ellipticity 0.4510905E-02 Gb(Abramov) 0.1514328E+00 Vb(Abramov) -0.7524655E+00 Hb(Abramov) -0.6010327E+00 Ex_ueg -0.1680348E+00 Ec_ueg -0.2084082E-01 Delta_ex 0.1815877E+00 Delta_ec 0.6194949E-01 Delta_et -0.1491131E+01 Pxc 0.8062774E+01 Qxc 0.2931221E+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 61 119 51 120 118 128 72 91 89 125 105 92 121 88 104 129 127 106 126 70 74 111 73 112 75 76 124 94 95 96 47 46 131 103 132 80 77 79 116 81 78 113 98 100 114 97 122 93 130 99 109 115 60 49 117 102 56 110 87 135 134 66 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 2.440929 1.889631 1.801159 1.872751 1.715831 1.707531 2.404882 1.889504 1.944839 1.694793 1.992521 2.069346 2.600465 1.704597 1.840225 2.016174 1.865564 2.107621 2.351882 1.933340 1.881811 2.049643 1.985046 1.705783 2.558776 2.028160 1.843761 2.108929 1.858118 1.715921 2.466722 1.886329 1.870009 1.802095 2.344103 1.881977 1.934512 1.989388 2.045054 1.707745 2.593800 1.705006 1.838861 2.020885 1.862762 2.112943 2.418819 1.890704 1.716663 1.802896 1.872191 1.608740 3.011298 3.003856 3.012685 1.484451 1.602676 1.605198 0.981145 0.984082 0.981155 2.442242 1.889831 1.801495 1.873247 1.715845 1.707563 2.406278 1.890617 1.945195 1.694828 1.993727 2.070260 2.601437 1.704605 1.840841 2.016577 1.866302 2.108875 2.353238 1.933577 1.883049 2.050421 1.985987 1.705791 2.559654 2.028575 1.844381 2.110181 1.858823 1.715936 2.467987 1.886545 1.870502 1.802436 2.345480 1.883226 1.934786 1.990345 2.045833 1.707776 2.594727 1.705014 1.839474 2.021292 1.863501 2.114216 2.420271 1.890893 1.716678 1.803232 1.872683 1.608774 3.019489 3.010716 3.020630 1.484451 1.602737 1.605227 0.981403 0.984365 0.981412 27 30 26 24 21 22 27 24 24 21 24 25 29 20 22 23 23 25 27 23 23 25 23 20 29 24 22 25 24 23 29 23 26 23 27 25 24 27 26 23 29 20 23 26 23 25 27 23 21 23 25 21 33 33 33 21 21 23 20 20 20 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 Mo Mo W Mo 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 2.5782 -0.6624 2.4230 2.3889 2.5591 2.3809 2.5718 -0.6155 -0.6976 2.5579 2.3904 2.5639 -1.0788 -0.8131 -1.0737 -1.0756 -0.6598 -0.9838 -0.6154 -0.8823 -0.6143 -0.8828 -0.6197 -0.9835 -0.9485 -0.5754 -0.8841 -0.6602 -0.8971 -0.6966 -0.8711 -0.9411 -0.8717 -0.9061 -0.8978 2.1133 -0.6625 -0.8739 -0.9416 -0.8767 -0.6968 0.3051 0.3136 0.3134 2.0614 1.9864 1.9736 1.9435 2.1043 1.9359 2.0612 1.9943 1.9830 2.1046 1.9432 2.0663 1.8958 1.9218 1.8967 1.8957 1.8861 1.9309 1.9946 1.9506 1.9947 1.9501 1.8929 1.9309 1.9350 2.0005 1.9496 1.8860 1.9558 1.9827 1.9618 1.9520 1.9608 1.9532 1.9555 2.5580 1.9864 1.9604 1.9518 1.9572 1.9828 0.5982 0.5897 0.5899 6.0750 4.6335 6.0629 6.0565 6.0980 6.0631 6.0771 4.5829 4.6739 6.0982 6.0552 6.0800 5.1461 4.8474 5.1401 5.1431 4.7405 5.0239 4.5824 4.9027 4.5811 4.9035 4.6948 5.0236 4.9865 4.5337 4.9054 4.7410 4.9103 4.6732 4.8708 4.9527 4.8724 4.9187 4.9112 7.5071 4.6337 4.8751 4.9534 4.8902 4.6733 0.0967 0.0966 0.0966 3.2582 0.0425 3.5405 3.6111 3.2098 3.6201 3.2628 0.0383 0.0407 3.2104 3.6112 3.2626 0.0369 0.0440 0.0369 0.0368 0.0333 0.0291 0.0384 0.0291 0.0385 0.0291 0.0320 0.0290 0.0270 0.0412 0.0290 0.0332 0.0311 0.0406 0.0385 0.0364 0.0384 0.0342 0.0310 0.8216 0.0425 0.0384 0.0364 0.0293 0.0407 0.0000 0.0000 0.0000 14.0272 0.0000 0.0000 0.0000 14.0288 0.0000 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 Mo Mo W Mo 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 2.497936 -0.671002 3.200406 3.173925 2.557868 3.172973 2.495098 -0.874823 -0.711226 2.558648 3.172088 2.496976 -1.075396 -0.888377 -1.117615 -1.073986 -0.501458 -0.935419 -0.875369 -1.140031 -0.874380 -1.141717 -0.611860 -0.934603 -1.048993 -0.825229 -1.142728 -0.501403 -1.034429 -0.710364 -0.925917 -0.886110 -0.926744 -0.985057 -1.033581 1.971865 -0.671276 -0.929189 -0.886418 -1.113909 -0.710931 0.151598 0.155036 0.155125 1.973709 -0.528166 2.354633 2.390865 1.978374 2.393682 1.980355 -0.597647 -0.564638 1.978819 2.389651 1.975857 -0.848088 -0.780960 -0.909656 -0.852160 -0.667932 -0.674225 -0.601085 -0.889714 -0.599802 -0.890974 -0.727290 -0.676392 -0.778528 -0.545051 -0.890940 -0.668268 -0.811997 -0.563069 -0.755793 -0.693131 -0.758245 -0.768135 -0.811427 1.564424 -0.528641 -0.757785 -0.694801 -0.879323 -0.567840 0.436762 0.432235 0.432337 2.085745 -0.525504 2.574382 2.458933 2.125640 2.462919 2.089844 -0.561797 -0.556273 2.124692 2.457516 2.082284 -0.878904 -0.789824 -0.929597 -0.882047 -0.659786 -0.797129 -0.567976 -0.957215 -0.566477 -0.957532 -0.655716 -0.798664 -0.931058 -0.553838 -0.959015 -0.657268 -0.871177 -0.551935 -0.785866 -0.761816 -0.782711 -0.867276 -0.871016 1.568497 -0.525856 -0.783202 -0.765475 -0.943144 -0.559440 0.377121 0.424692 0.422267 -7.38769850 -5.83873328 -8.16185640 12.46133201 -3.47584357 3.99736533 6.06577273 1.65893379 -0.35411138 1.81690978 -303.5924 307.0655 -75.5184 -273.6342 -1.7409 -347.4206 Apr22-2024 19:43:52 Nodes: 1 Procs: 1 Apr22-2024 19:43:53 Nodes: 1 Procs: 1 0 Apr22-2024 19:43:53 Nodes: 1 Procs: 1 Apr22-2024 19:43:54 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr22-2024 19:43:54 Nodes: 1 Procs: 1 Apr22-2024 19:43:55 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr22-2024 19:43:56 Nodes: 1 Procs: 1 Apr22-2024 19:43:56 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr22-2024 19:43:56 Nodes: 1 Procs: 1 Apr22-2024 19:43:57 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr22-2024 19:43:59 Nodes: 1 Procs: 24 *** (NO TITLE) *** 0 -12.05496320 -12.51895507 -12.19504994 -12.68125619 -12.72467090 -12.73399357 -12.74246506 -12.75354109 -12.75761202 -12.76027190 -12.76321136 -12.76417384 -12.76495124 -12.76526135 -12.76563247 -12.76586367 -12.76607292 -12.76646733 -12.76683779 -12.76707510 -12.76714957 -12.76722986 -12.76731235 -12.76738732 -12.76739529 -12.76741858 -12.76746245 -12.76747061 GEOMETRY CONVERGED