ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar11-2024 16:56:11 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.01 0.74 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 Mar11-2024 16:56:11 Nodes: 1 Procs: 1 Mar11-2024 16:56:12 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar11-2024 16:56:13 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.63 0.03 0.70 1 2 3 4 5 1 2 3 4 1 2 3 2.000 2.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 -70.348 -4.706 1.094 14.838 117.594 -43.980 -0.956 23.495 177.742 -5.162 7.884 88.247 S S S S S P P P P D D D S P D S P S D S P D S P 1 1 1 2 2 3 2 4 3 3 5 4 2.00 6.00 3.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -70.3477 -43.9800 -5.1622 -4.7064 -0.9562 1.0935 7.8841 14.8384 23.4949 88.2471 117.5944 177.7416 1 V -0.0000 4.0000 6.0000 3.0000 0.0000 Mar11-2024 16:56:11 Nodes: 1 Procs: 1 Mar11-2024 16:56:12 Nodes: 1 Procs: 1 0 Mar11-2024 16:56:13 Nodes: 1 Procs: 1 Mar11-2024 16:56:13 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar11-2024 16:56:14 Molybdenum (TZP, 3d frozen) kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.41 0.02 0.49 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 Mar11-2024 16:56:11 Nodes: 1 Procs: 1 Mar11-2024 16:56:12 Nodes: 1 Procs: 1 0 Mar11-2024 16:56:13 Nodes: 1 Procs: 1 Mar11-2024 16:56:13 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 Mar11-2024 16:56:14 Nodes: 1 Procs: 1 Mar11-2024 16:56:14 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar11-2024 16:56:15 Molybdenum (TZP, 3d frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP 1730.2580999999973 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-1.531437 0.000000 Rho 0.3189620E+03 3,-3 19 3 -3 -3.043882 0.105090 -1.580082 Rho 0.3191990E+03 3,-3 20 3 -3 3.094678 1.710916 0.000000 Rho 0.3189827E+03 3,-3 21 3 -3 1.399267 -3.121025 -1.485618 Rho 0.3194636E+03 3,-3 22 3 -3 1.140123 2.893662 1.299315 Rho 0.3190115E+03 3,-3 23 3 -3 -1.148221 -1.297303 -2.872146 Rho 0.3189686E+03 3,-3 24 3 -3 -1.124624 1.349898 2.920246 Rho 0.3190019E+03 3,-3 25 3 -3 -1.124624 1.349898 -2.920246 Rho 0.3190020E+03 3,-3 26 3 -3 -1.148221 -1.297303 2.872146 Rho 0.3189686E+03 3,-3 27 3 -3 1.140123 2.893662 -1.299315 Rho 0.3190115E+03 3,-3 28 3 -3 1.399267 -3.121025 1.485618 Rho 0.3194636E+03 3,-3 29 3 -3 3.455679 0.134973 2.187601 Rho 0.3191606E+03 3,-3 30 3 -3 -3.479409 -2.204302 0.000000 Rho 0.3190267E+03 3,-3 31 3 -3 3.455679 0.134973 -2.187601 Rho 0.3191606E+03 3,-3 32 3 -3 -3.416764 2.314287 0.000000 Rho 0.3190532E+03 3,-3 33 3 -3 1.490047 1.382288 3.505829 Rho 0.3190612E+03 3,-3 34 3 -3 1.550448 -1.313913 -3.531908 Rho 0.3190607E+03 3,-3 35 3 -3 -1.466278 3.544295 1.354645 Rho 0.3190863E+03 3,-3 36 3 -3 -1.857864 -3.723700 -1.717663 Rho 0.3193928E+03 3,-3 37 3 -3 -1.857864 -3.723700 1.717663 Rho 0.3193928E+03 3,-3 38 3 -3 -1.466278 3.544295 -1.354645 Rho 0.3190863E+03 3,-3 39 3 -3 1.550448 -1.313913 3.531908 Rho 0.3190607E+03 3,-3 40 3 -3 1.490047 1.382288 -3.505829 Rho 0.3190612E+03 3,-3 41 3 -3 -0.239059 -0.008882 5.270569 Rho 0.3194029E+03 3,-3 42 3 -3 3.914960 -2.655064 -2.526028 Rho 0.3193465E+03 3,-3 43 3 -3 -0.239059 -0.008882 -5.270569 Rho 0.3194029E+03 3,-3 44 3 -3 0.283736 5.323674 0.000000 Rho 0.3193629E+03 3,-3 45 3 -3 3.914960 -2.655064 2.526028 Rho 0.3193465E+03 3,-3 46 3 -3 3.723844 2.915372 -2.536159 Rho 0.3193791E+03 3,-3 47 3 -3 -3.743229 2.534000 -2.827684 Rho 0.3193620E+03 3,-3 48 3 -3 -3.884313 -2.248593 2.804343 Rho 0.3193508E+03 3,-3 49 3 -3 -3.884313 -2.248593 -2.804343 Rho 0.3193508E+03 3,-3 50 3 -3 -3.743229 2.534000 2.827684 Rho 0.3193620E+03 3,-3 51 3 -3 3.723844 2.915372 2.536159 Rho 0.3193791E+03 3,-3 52 3 +1 -1.743146 -0.051316 0.680708 Rho 0.8710527E-02 |GRAD(Rho)| 0.1491956E-14 GRAD(Rho)x 0.9744492E-15 GRAD(Rho)y 0.8206354E-15 GRAD(Rho)z -0.7764923E-15 Laplacian 0.3192053E-01 (-1/4)Del**2(Rho)) -0.7980131E-02 Diamond 0.8249800E-03 Metallicity 0.7960687E+00 Ellipticity -0.1465207E+01 Gb(Abramov) 0.6378876E-02 Vb(Abramov) -0.4777621E-02 Hb(Abramov) 0.1601255E-02 Ex_ueg -0.1323664E-02 Ec_ueg -0.3099281E-03 Delta_ex -0.1443376E-02 Delta_ec 0.4141744E-03 Delta_et -0.2868493E-02 Pxc 0.4270873E+01 Qxc -0.3484946E+01 3,+1 53 3 +1 -1.743146 -0.051316 -0.680708 Rho 0.8710527E-02 |GRAD(Rho)| 0.4169401E-17 GRAD(Rho)x -0.1817117E-18 GRAD(Rho)y -0.4070367E-17 GRAD(Rho)z 0.8848729E-18 Laplacian 0.3192053E-01 (-1/4)Del**2(Rho)) -0.7980131E-02 Diamond 0.8249800E-03 Metallicity 0.7960687E+00 Ellipticity -0.1465207E+01 Gb(Abramov) 0.6378876E-02 Vb(Abramov) -0.4777621E-02 Hb(Abramov) 0.1601255E-02 Ex_ueg -0.1323664E-02 Ec_ueg -0.3099281E-03 Delta_ex -0.1443376E-02 Delta_ec 0.4141744E-03 Delta_et -0.2868493E-02 Pxc 0.4270873E+01 Qxc -0.3484946E+01 3,+1 54 3 -1 -2.811560 0.914325 -1.641925 Rho 0.1887765E+00 |GRAD(Rho)| 0.5533862E-11 GRAD(Rho)x -0.1349522E-11 GRAD(Rho)y -0.5348701E-11 GRAD(Rho)z 0.4402478E-12 Laplacian 0.7564791E+00 (-1/4)Del**2(Rho)) -0.1891198E+00 Diamond 0.1975092E+01 Metallicity 0.5658865E+01 Ellipticity 0.2734147E-01 Gb(Abramov) 0.3044471E+00 Vb(Abramov) -0.4197743E+00 Hb(Abramov) -0.1153273E+00 Ex_ueg -0.7998015E-01 Ec_ueg -0.1097047E-01 Delta_ex -0.8570252E-01 Delta_ec 0.1749462E-01 Delta_et -0.2373952E+00 Pxc 0.7290495E+01 Qxc -0.4898793E+01 3,-1 55 3 +1 -1.766176 0.017747 -2.422081 Rho 0.1098338E-01 |GRAD(Rho)| 0.1256562E-13 GRAD(Rho)x 0.4102776E-14 GRAD(Rho)y 0.1122243E-13 GRAD(Rho)z -0.3888328E-14 Laplacian 0.5330775E-01 (-1/4)Del**2(Rho)) -0.1332694E-01 Diamond 0.1935581E-02 Metallicity 0.7015350E+00 Ellipticity -0.1285530E+01 Gb(Abramov) 0.1044284E-01 Vb(Abramov) -0.7558751E-02 Hb(Abramov) 0.2884094E-02 Ex_ueg -0.1803155E-02 Ec_ueg -0.4128440E-03 Delta_ex -0.2574212E-02 Delta_ec 0.7172310E-03 Delta_et -0.5242061E-02 Pxc 0.4367642E+01 Qxc -0.3589097E+01 3,+1 56 3 +1 -1.766176 0.017747 2.422081 Rho 0.1098338E-01 |GRAD(Rho)| 0.1255879E-13 GRAD(Rho)x 0.4110422E-14 GRAD(Rho)y 0.1121145E-13 GRAD(Rho)z 0.3889859E-14 Laplacian 0.5330775E-01 (-1/4)Del**2(Rho)) -0.1332694E-01 Diamond 0.1935581E-02 Metallicity 0.7015350E+00 Ellipticity -0.1285530E+01 Gb(Abramov) 0.1044284E-01 Vb(Abramov) -0.7558751E-02 Hb(Abramov) 0.2884094E-02 Ex_ueg -0.1803155E-02 Ec_ueg -0.4128440E-03 Delta_ex -0.2574212E-02 Delta_ec 0.7172310E-03 Delta_et -0.5242061E-02 Pxc 0.4367642E+01 Qxc -0.3589097E+01 3,+1 57 3 -1 -2.811560 0.914325 1.641925 Rho 0.1887765E+00 |GRAD(Rho)| 0.3064381E-13 GRAD(Rho)x -0.9769610E-15 GRAD(Rho)y 0.3037842E-13 GRAD(Rho)z 0.3903826E-14 Laplacian 0.7564791E+00 (-1/4)Del**2(Rho)) -0.1891198E+00 Diamond 0.1975092E+01 Metallicity 0.5658865E+01 Ellipticity 0.2734147E-01 Gb(Abramov) 0.3044471E+00 Vb(Abramov) -0.4197743E+00 Hb(Abramov) -0.1153273E+00 Ex_ueg -0.7998015E-01 Ec_ueg -0.1097047E-01 Delta_ex -0.8570252E-01 Delta_ec 0.1749462E-01 Delta_et -0.2373952E+00 Pxc 0.7290495E+01 Qxc -0.4898793E+01 3,-1 58 3 +3 -1.134333 -0.005082 -1.511279 Rho 0.4953155E-02 |GRAD(Rho)| 0.3818594E-15 GRAD(Rho)x 0.3202854E-15 GRAD(Rho)y 0.6203059E-16 GRAD(Rho)z -0.1984592E-15 Laplacian 0.1739872E-01 (-1/4)Del**2(Rho)) -0.4349680E-02 Diamond 0.1068807E-03 Metallicity 0.5700318E+00 Ellipticity -0.3123321E+00 Gb(Abramov) 0.3313029E-02 Vb(Abramov) -0.2276379E-02 Hb(Abramov) 0.1036651E-02 Ex_ueg -0.6235830E-03 Ec_ueg -0.1448974E-03 Delta_ex -0.5872615E-03 Delta_ec 0.5471132E-04 Delta_et -0.4958799E-03 Pxc 0.4303617E+01 Qxc -0.1073382E+02 3,+3 59 3 +3 -1.134333 -0.005082 1.511279 Rho 0.4953155E-02 |GRAD(Rho)| 0.3781939E-15 GRAD(Rho)x 0.3141929E-15 GRAD(Rho)y 0.6351423E-16 GRAD(Rho)z 0.2006972E-15 Laplacian 0.1739872E-01 (-1/4)Del**2(Rho)) -0.4349680E-02 Diamond 0.1068807E-03 Metallicity 0.5700318E+00 Ellipticity -0.3123321E+00 Gb(Abramov) 0.3313029E-02 Vb(Abramov) -0.2276379E-02 Hb(Abramov) 0.1036651E-02 Ex_ueg -0.6235830E-03 Ec_ueg -0.1448974E-03 Delta_ex -0.5872615E-03 Delta_ec 0.5471132E-04 Delta_et -0.4958799E-03 Pxc 0.4303617E+01 Qxc -0.1073382E+02 3,+3 60 3 +3 0.040226 1.549972 -1.601846 Rho 0.4787578E-02 |GRAD(Rho)| 0.6277353E-16 GRAD(Rho)x 0.3856315E-16 GRAD(Rho)y -0.4951704E-16 GRAD(Rho)z -0.1209466E-17 Laplacian 0.1918477E-01 (-1/4)Del**2(Rho)) -0.4796191E-02 Diamond 0.1600441E-03 Metallicity 0.4884834E+00 Ellipticity -0.4067080E+00 Gb(Abramov) 0.3587938E-02 Vb(Abramov) -0.2379684E-02 Hb(Abramov) 0.1208254E-02 Ex_ueg -0.5959451E-03 Ec_ueg -0.1377829E-03 Delta_ex -0.6881492E-03 Delta_ec 0.1438901E-03 Delta_et -0.9582332E-03 Pxc 0.4325247E+01 Qxc -0.4782463E+01 3,+3 61 3 -1 -1.806720 1.572546 -2.340245 Rho 0.1294960E+00 |GRAD(Rho)| 0.6268537E-12 GRAD(Rho)x -0.4590686E-12 GRAD(Rho)y 0.1575095E-12 GRAD(Rho)z 0.3967271E-12 Laplacian 0.5306220E+00 (-1/4)Del**2(Rho)) -0.1326555E+00 Diamond 0.8953783E+00 Metallicity 0.4304492E+01 Ellipticity 0.1063001E-01 Gb(Abramov) 0.1836061E+00 Vb(Abramov) -0.2345567E+00 Hb(Abramov) -0.5095059E-01 Ex_ueg -0.4838680E-01 Ec_ueg -0.7144189E-02 Delta_ex -0.5491003E-01 Delta_ec 0.1382635E-01 Delta_et -0.1797737E+00 Pxc 0.6772890E+01 Qxc -0.3971405E+01 3,-1 62 3 -1 -1.754614 1.575605 -0.834945 Rho 0.4495604E-01 |GRAD(Rho)| 0.2052640E-15 GRAD(Rho)x -0.1198168E-15 GRAD(Rho)y 0.7003957E-16 GRAD(Rho)z -0.1512339E-15 Laplacian 0.1813682E+00 (-1/4)Del**2(Rho)) -0.4534206E-01 Diamond 0.8056027E-01 Metallicity 0.2159560E+01 Ellipticity 0.1174355E-01 Gb(Abramov) 0.4654786E-01 Vb(Abramov) -0.4775366E-01 Hb(Abramov) -0.1205798E-02 Ex_ueg -0.1180599E-01 Ec_ueg -0.2138020E-02 Delta_ex -0.1458538E-01 Delta_ec 0.5496494E-02 Delta_et -0.5637695E-01 Pxc 0.5521927E+01 Qxc -0.2653580E+01 3,-1 63 3 +1 -2.191713 1.794236 -0.000000 Rho 0.2657335E-01 |GRAD(Rho)| 0.3031687E-16 GRAD(Rho)x 0.4093416E-17 GRAD(Rho)y -0.7785360E-17 GRAD(Rho)z -0.2901284E-16 Laplacian 0.1025802E+00 (-1/4)Del**2(Rho)) -0.2564505E-01 Diamond 0.1555820E-01 Metallicity 0.1589620E+01 Ellipticity -0.8976474E+01 Gb(Abramov) 0.2389102E-01 Vb(Abramov) -0.2213698E-01 Hb(Abramov) 0.1754035E-02 Ex_ueg -0.5856617E-02 Ec_ueg -0.1168252E-02 Delta_ex -0.6581670E-02 Delta_ec 0.1913308E-02 Delta_et -0.1710953E-01 Pxc 0.5013147E+01 Qxc -0.3439942E+01 3,+1 64 3 -1 -1.754614 1.575605 0.834945 Rho 0.4495604E-01 |GRAD(Rho)| 0.9241786E-16 GRAD(Rho)x -0.7698725E-16 GRAD(Rho)y 0.3043601E-16 GRAD(Rho)z 0.4108131E-16 Laplacian 0.1813682E+00 (-1/4)Del**2(Rho)) -0.4534206E-01 Diamond 0.8056027E-01 Metallicity 0.2159560E+01 Ellipticity 0.1174355E-01 Gb(Abramov) 0.4654786E-01 Vb(Abramov) -0.4775366E-01 Hb(Abramov) -0.1205798E-02 Ex_ueg -0.1180599E-01 Ec_ueg -0.2138020E-02 Delta_ex -0.1458538E-01 Delta_ec 0.5496494E-02 Delta_et -0.5637695E-01 Pxc 0.5521927E+01 Qxc -0.2653580E+01 3,-1 65 3 -1 -1.806720 1.572546 2.340245 Rho 0.1294960E+00 |GRAD(Rho)| 0.6276402E-12 GRAD(Rho)x -0.4596350E-12 GRAD(Rho)y 0.1576881E-12 GRAD(Rho)z -0.3972435E-12 Laplacian 0.5306220E+00 (-1/4)Del**2(Rho)) -0.1326555E+00 Diamond 0.8953783E+00 Metallicity 0.4304492E+01 Ellipticity 0.1063001E-01 Gb(Abramov) 0.1836061E+00 Vb(Abramov) -0.2345567E+00 Hb(Abramov) -0.5095059E-01 Ex_ueg -0.4838680E-01 Ec_ueg -0.7144189E-02 Delta_ex -0.5491003E-01 Delta_ec 0.1382635E-01 Delta_et -0.1797737E+00 Pxc 0.6772890E+01 Qxc -0.3971405E+01 3,-1 66 3 -1 -1.983405 2.722622 -1.514896 Rho 0.1003571E+00 |GRAD(Rho)| 0.2541901E-15 GRAD(Rho)x -0.1974095E-15 GRAD(Rho)y -0.1551154E-15 GRAD(Rho)z -0.3976566E-16 Laplacian 0.3948008E+00 (-1/4)Del**2(Rho)) -0.9870020E-01 Diamond 0.4878994E+00 Metallicity 0.3782815E+01 Ellipticity 0.2336364E-01 Gb(Abramov) 0.1280276E+00 Vb(Abramov) -0.1573549E+00 Hb(Abramov) -0.2932736E-01 Ex_ueg -0.3444417E-01 Ec_ueg -0.5346687E-02 Delta_ex -0.3841716E-01 Delta_ec 0.1084111E-01 Delta_et -0.1345680E+00 Pxc 0.6442151E+01 Qxc -0.3543656E+01 3,-1 67 3 -1 -1.983405 2.722622 1.514896 Rho 0.1003571E+00 |GRAD(Rho)| 0.3013387E-15 GRAD(Rho)x -0.2078687E-15 GRAD(Rho)y -0.2084379E-15 GRAD(Rho)z 0.6441516E-16 Laplacian 0.3948008E+00 (-1/4)Del**2(Rho)) -0.9870020E-01 Diamond 0.4878994E+00 Metallicity 0.3782815E+01 Ellipticity 0.2336364E-01 Gb(Abramov) 0.1280276E+00 Vb(Abramov) -0.1573549E+00 Hb(Abramov) -0.2932736E-01 Ex_ueg -0.3444417E-01 Ec_ueg -0.5346687E-02 Delta_ex -0.3841716E-01 Delta_ec 0.1084111E-01 Delta_et -0.1345680E+00 Pxc 0.6442151E+01 Qxc -0.3543656E+01 3,-1 68 3 +1 -1.320498 2.362548 -0.726582 Rho 0.2528448E-01 |GRAD(Rho)| 0.1147237E-14 GRAD(Rho)x -0.8274964E-15 GRAD(Rho)y 0.9610946E-16 GRAD(Rho)z -0.7887753E-15 Laplacian 0.9735872E-01 (-1/4)Del**2(Rho)) -0.2433968E-01 Diamond 0.1340118E-01 Metallicity 0.1541683E+01 Ellipticity -0.5077828E+01 Gb(Abramov) 0.2248047E-01 Vb(Abramov) -0.2062125E-01 Hb(Abramov) 0.1859215E-02 Ex_ueg -0.5480967E-02 Ec_ueg -0.1103048E-02 Delta_ex -0.6123567E-02 Delta_ec 0.1741460E-02 Delta_et -0.1539475E-01 Pxc 0.4968928E+01 Qxc -0.3516341E+01 3,+1 69 3 +1 -1.320498 2.362548 0.726582 Rho 0.2528448E-01 |GRAD(Rho)| 0.1204781E-14 GRAD(Rho)x -0.8425042E-15 GRAD(Rho)y 0.1817630E-15 GRAD(Rho)z 0.8418106E-15 Laplacian 0.9735872E-01 (-1/4)Del**2(Rho)) -0.2433968E-01 Diamond 0.1340118E-01 Metallicity 0.1541683E+01 Ellipticity -0.5077828E+01 Gb(Abramov) 0.2248047E-01 Vb(Abramov) -0.2062125E-01 Hb(Abramov) 0.1859215E-02 Ex_ueg -0.5480967E-02 Ec_ueg -0.1103048E-02 Delta_ex -0.6123567E-02 Delta_ec 0.1741460E-02 Delta_et -0.1539475E-01 Pxc 0.4968928E+01 Qxc -0.3516341E+01 3,+1 70 3 +1 -0.263411 -2.647637 -1.841696 Rho 0.2906426E-02 |GRAD(Rho)| 0.3329981E-17 GRAD(Rho)x 0.2883986E-17 GRAD(Rho)y 0.1662920E-17 GRAD(Rho)z -0.7810863E-19 Laplacian 0.1154935E-01 (-1/4)Del**2(Rho)) -0.2887339E-02 Diamond 0.1114939E-03 Metallicity 0.3531730E+00 Ellipticity -0.1454586E+01 Gb(Abramov) 0.2094847E-02 Vb(Abramov) -0.1302356E-02 Hb(Abramov) 0.7924912E-03 Ex_ueg -0.3063355E-03 Ec_ueg -0.5796115E-04 Delta_ex -0.4839178E-03 Delta_ec 0.3003165E-03 Delta_et -0.1410783E-02 Pxc 0.5285187E+01 Qxc -0.1611359E+01 3,+1 71 3 -1 -0.225211 -3.372221 -1.593404 Rho 0.3857540E-02 |GRAD(Rho)| 0.3945820E-17 GRAD(Rho)x 0.3298591E-17 GRAD(Rho)y 0.2146830E-17 GRAD(Rho)z 0.2826847E-18 Laplacian 0.1477573E-01 (-1/4)Del**2(Rho)) -0.3693932E-02 Diamond 0.3935825E-03 Metallicity 0.4425018E+00 Ellipticity 0.1955163E+00 Gb(Abramov) 0.2735050E-02 Vb(Abramov) -0.1776168E-02 Hb(Abramov) 0.9588821E-03 Ex_ueg -0.4468198E-03 Ec_ueg -0.9808434E-04 Delta_ex -0.8968156E-03 Delta_ec 0.8176266E-03 Delta_et -0.3961364E-02 Pxc 0.4555465E+01 Qxc -0.1096852E+01 3,-1 72 3 -1 -0.225211 -3.372221 1.593404 Rho 0.3857540E-02 |GRAD(Rho)| 0.3375879E-17 GRAD(Rho)x -0.3096743E-17 GRAD(Rho)y 0.1344129E-17 GRAD(Rho)z -0.7781059E-20 Laplacian 0.1477573E-01 (-1/4)Del**2(Rho)) -0.3693932E-02 Diamond 0.3935825E-03 Metallicity 0.4425018E+00 Ellipticity 0.1955163E+00 Gb(Abramov) 0.2735050E-02 Vb(Abramov) -0.1776168E-02 Hb(Abramov) 0.9588821E-03 Ex_ueg -0.4468198E-03 Ec_ueg -0.9808434E-04 Delta_ex -0.8968156E-03 Delta_ec 0.8176266E-03 Delta_et -0.3961364E-02 Pxc 0.4555465E+01 Qxc -0.1096852E+01 3,-1 73 3 +1 -0.263411 -2.647637 1.841696 Rho 0.2906426E-02 |GRAD(Rho)| 0.2471864E-17 GRAD(Rho)x 0.2082817E-17 GRAD(Rho)y 0.1081279E-17 GRAD(Rho)z 0.7764167E-18 Laplacian 0.1154935E-01 (-1/4)Del**2(Rho)) -0.2887339E-02 Diamond 0.1114939E-03 Metallicity 0.3531730E+00 Ellipticity -0.1454586E+01 Gb(Abramov) 0.2094847E-02 Vb(Abramov) -0.1302356E-02 Hb(Abramov) 0.7924912E-03 Ex_ueg -0.3063355E-03 Ec_ueg -0.5796115E-04 Delta_ex -0.4839178E-03 Delta_ec 0.3003165E-03 Delta_et -0.1410783E-02 Pxc 0.5285187E+01 Qxc -0.1611359E+01 3,+1 74 3 -1 -2.776877 -0.948137 -1.638711 Rho 0.5822845E-01 |GRAD(Rho)| 0.2146276E-15 GRAD(Rho)x 0.7988241E-16 GRAD(Rho)y -0.1989528E-15 GRAD(Rho)z -0.1008006E-16 Laplacian 0.2431916E+00 (-1/4)Del**2(Rho)) -0.6079790E-01 Diamond 0.1566131E+00 Metallicity 0.2478696E+01 Ellipticity 0.9026180E-02 Gb(Abramov) 0.6564852E-01 Vb(Abramov) -0.7049914E-01 Hb(Abramov) -0.4850622E-02 Ex_ueg -0.1666858E-01 Ec_ueg -0.2874520E-02 Delta_ex -0.2097949E-01 Delta_ec 0.7549411E-02 Delta_et -0.8292921E-01 Pxc 0.5798736E+01 Qxc -0.2778958E+01 3,-1 75 3 -1 -1.793305 -1.666066 -2.310139 Rho 0.1235069E+00 |GRAD(Rho)| 0.3017993E-15 GRAD(Rho)x 0.2071436E-15 GRAD(Rho)y -0.7806256E-17 GRAD(Rho)z 0.2193477E-15 Laplacian 0.5054149E+00 (-1/4)Del**2(Rho)) -0.1263537E+00 Diamond 0.8057898E+00 Metallicity 0.4176226E+01 Ellipticity 0.1339429E-01 Gb(Abramov) 0.1721828E+00 Vb(Abramov) -0.2180118E+00 Hb(Abramov) -0.4582904E-01 Ex_ueg -0.4542624E-01 Ec_ueg -0.6769832E-02 Delta_ex -0.5171052E-01 Delta_ec 0.1332171E-01 Delta_et -0.1718724E+00 Pxc 0.6710099E+01 Qxc -0.3881673E+01 3,-1 76 3 -1 -1.776615 -1.753538 -0.832118 Rho 0.5373488E-01 |GRAD(Rho)| 0.5731917E-14 GRAD(Rho)x 0.1126111E-14 GRAD(Rho)y 0.5270537E-14 GRAD(Rho)z 0.1951459E-14 Laplacian 0.2157834E+00 (-1/4)Del**2(Rho)) -0.5394586E-01 Diamond 0.1232948E+00 Metallicity 0.2443555E+01 Ellipticity 0.2367787E-01 Gb(Abramov) 0.5793386E-01 Vb(Abramov) -0.6192185E-01 Hb(Abramov) -0.3987997E-02 Ex_ueg -0.1497592E-01 Ec_ueg -0.2622341E-02 Delta_ex -0.1819153E-01 Delta_ec 0.6611473E-02 Delta_et -0.7109734E-01 Pxc 0.5710896E+01 Qxc -0.2751510E+01 3,-1 77 3 -1 -1.776615 -1.753538 0.832118 Rho 0.5373488E-01 |GRAD(Rho)| 0.5717417E-14 GRAD(Rho)x 0.1121636E-14 GRAD(Rho)y 0.5277404E-14 GRAD(Rho)z -0.1892036E-14 Laplacian 0.2157834E+00 (-1/4)Del**2(Rho)) -0.5394586E-01 Diamond 0.1232948E+00 Metallicity 0.2443555E+01 Ellipticity 0.2367787E-01 Gb(Abramov) 0.5793386E-01 Vb(Abramov) -0.6192185E-01 Hb(Abramov) -0.3987997E-02 Ex_ueg -0.1497592E-01 Ec_ueg -0.2622341E-02 Delta_ex -0.1819153E-01 Delta_ec 0.6611473E-02 Delta_et -0.7109734E-01 Pxc 0.5710896E+01 Qxc -0.2751510E+01 3,-1 78 3 -1 -1.793305 -1.666066 2.310139 Rho 0.1235069E+00 |GRAD(Rho)| 0.3381741E-15 GRAD(Rho)x 0.1825932E-15 GRAD(Rho)y 0.8395791E-16 GRAD(Rho)z -0.2719789E-15 Laplacian 0.5054149E+00 (-1/4)Del**2(Rho)) -0.1263537E+00 Diamond 0.8057898E+00 Metallicity 0.4176226E+01 Ellipticity 0.1339429E-01 Gb(Abramov) 0.1721828E+00 Vb(Abramov) -0.2180118E+00 Hb(Abramov) -0.4582904E-01 Ex_ueg -0.4542624E-01 Ec_ueg -0.6769832E-02 Delta_ex -0.5171052E-01 Delta_ec 0.1332171E-01 Delta_et -0.1718724E+00 Pxc 0.6710099E+01 Qxc -0.3881673E+01 3,-1 79 3 -1 -2.776877 -0.948137 1.638711 Rho 0.5822845E-01 |GRAD(Rho)| 0.9263505E-16 GRAD(Rho)x 0.2814627E-16 GRAD(Rho)y -0.8796437E-16 GRAD(Rho)z -0.7163040E-17 Laplacian 0.2431916E+00 (-1/4)Del**2(Rho)) -0.6079790E-01 Diamond 0.1566131E+00 Metallicity 0.2478696E+01 Ellipticity 0.9026180E-02 Gb(Abramov) 0.6564852E-01 Vb(Abramov) -0.7049914E-01 Hb(Abramov) -0.4850622E-02 Ex_ueg -0.1666858E-01 Ec_ueg -0.2874520E-02 Delta_ex -0.2097949E-01 Delta_ec 0.7549411E-02 Delta_et -0.8292921E-01 Pxc 0.5798736E+01 Qxc -0.2778958E+01 3,-1 80 3 +1 -0.234554 2.262769 -1.907851 Rho 0.5971492E-02 |GRAD(Rho)| 0.1010457E-13 GRAD(Rho)x -0.7264214E-14 GRAD(Rho)y 0.6214806E-14 GRAD(Rho)z 0.3272556E-14 Laplacian 0.2510569E-01 (-1/4)Del**2(Rho)) -0.6276423E-02 Diamond 0.6199421E-03 Metallicity 0.5394845E+00 Ellipticity -0.1822061E+01 Gb(Abramov) 0.4748621E-02 Vb(Abramov) -0.3220819E-02 Hb(Abramov) 0.1527802E-02 Ex_ueg -0.8001329E-03 Ec_ueg -0.1889567E-03 Delta_ex -0.1201851E-02 Delta_ec 0.6290251E-03 Delta_et -0.3666644E-02 Pxc 0.4234479E+01 Qxc -0.1910656E+01 3,+1 81 3 -1 0.013204 2.078843 -2.075807 Rho 0.6159925E-02 |GRAD(Rho)| 0.8855050E-17 GRAD(Rho)x -0.6537813E-17 GRAD(Rho)y -0.3484231E-17 GRAD(Rho)z -0.4850677E-17 Laplacian 0.2453431E-01 (-1/4)Del**2(Rho)) -0.6133579E-02 Diamond 0.9035518E-03 Metallicity 0.5813865E+00 Ellipticity 0.1195615E+01 Gb(Abramov) 0.4683382E-02 Vb(Abramov) -0.3233186E-02 Hb(Abramov) 0.1450196E-02 Ex_ueg -0.8339736E-03 Ec_ueg -0.1971656E-03 Delta_ex -0.1373408E-02 Delta_ec 0.9558917E-03 Delta_et -0.5454219E-02 Pxc 0.4229813E+01 Qxc -0.1436782E+01 3,-1 82 3 +3 0.040226 1.549972 1.601846 Rho 0.4787578E-02 |GRAD(Rho)| 0.2883002E-15 GRAD(Rho)x 0.6606292E-16 GRAD(Rho)y 0.1540814E-15 GRAD(Rho)z -0.2345455E-15 Laplacian 0.1918477E-01 (-1/4)Del**2(Rho)) -0.4796191E-02 Diamond 0.1600441E-03 Metallicity 0.4884834E+00 Ellipticity -0.4067080E+00 Gb(Abramov) 0.3587938E-02 Vb(Abramov) -0.2379684E-02 Hb(Abramov) 0.1208254E-02 Ex_ueg -0.5959451E-03 Ec_ueg -0.1377829E-03 Delta_ex -0.6881492E-03 Delta_ec 0.1438901E-03 Delta_et -0.9582331E-03 Pxc 0.4325247E+01 Qxc -0.4782463E+01 3,+3 83 3 -1 0.013204 2.078843 2.075807 Rho 0.6159925E-02 |GRAD(Rho)| 0.1118804E-16 GRAD(Rho)x -0.9282871E-17 GRAD(Rho)y -0.4600182E-17 GRAD(Rho)z 0.4223612E-17 Laplacian 0.2453431E-01 (-1/4)Del**2(Rho)) -0.6133579E-02 Diamond 0.9035518E-03 Metallicity 0.5813865E+00 Ellipticity 0.1195615E+01 Gb(Abramov) 0.4683382E-02 Vb(Abramov) -0.3233186E-02 Hb(Abramov) 0.1450196E-02 Ex_ueg -0.8339736E-03 Ec_ueg -0.1971656E-03 Delta_ex -0.1373408E-02 Delta_ec 0.9558917E-03 Delta_et -0.5454219E-02 Pxc 0.4229813E+01 Qxc -0.1436782E+01 3,-1 84 3 +1 -0.234554 2.262769 1.907851 Rho 0.5971492E-02 |GRAD(Rho)| 0.1009472E-13 GRAD(Rho)x -0.7249213E-14 GRAD(Rho)y 0.6215769E-14 GRAD(Rho)z -0.3273620E-14 Laplacian 0.2510569E-01 (-1/4)Del**2(Rho)) -0.6276423E-02 Diamond 0.6199421E-03 Metallicity 0.5394845E+00 Ellipticity -0.1822061E+01 Gb(Abramov) 0.4748621E-02 Vb(Abramov) -0.3220819E-02 Hb(Abramov) 0.1527802E-02 Ex_ueg -0.8001329E-03 Ec_ueg -0.1889567E-03 Delta_ex -0.1201851E-02 Delta_ec 0.6290251E-03 Delta_et -0.3666644E-02 Pxc 0.4234479E+01 Qxc -0.1910656E+01 3,+1 85 3 -1 -0.544724 -0.671609 3.185594 Rho 0.1272959E+00 |GRAD(Rho)| 0.2762509E-15 GRAD(Rho)x 0.5949559E-17 GRAD(Rho)y -0.2516027E-15 GRAD(Rho)z -0.1139090E-15 Laplacian 0.5353994E+00 (-1/4)Del**2(Rho)) -0.1338498E+00 Diamond 0.8728603E+00 Metallicity 0.4145968E+01 Ellipticity 0.2149627E-01 Gb(Abramov) 0.1817227E+00 Vb(Abramov) -0.2295957E+00 Hb(Abramov) -0.4787290E-01 Ex_ueg -0.4729380E-01 Ec_ueg -0.7006386E-02 Delta_ex -0.5502509E-01 Delta_ec 0.1373879E-01 Delta_et -0.1776487E+00 Pxc 0.6750099E+01 Qxc -0.4005091E+01 3,-1 86 3 +1 -0.532356 -0.880149 1.474609 Rho 0.9253890E-02 |GRAD(Rho)| 0.1597696E-13 GRAD(Rho)x 0.9542822E-14 GRAD(Rho)y 0.4063744E-14 GRAD(Rho)z -0.1215252E-13 Laplacian 0.3399542E-01 (-1/4)Del**2(Rho)) -0.8498854E-02 Diamond 0.9077848E-03 Metallicity 0.8267992E+00 Ellipticity -0.1430778E+01 Gb(Abramov) 0.6837044E-02 Vb(Abramov) -0.5175233E-02 Hb(Abramov) 0.1661810E-02 Ex_ueg -0.1434886E-02 Ec_ueg -0.3343311E-03 Delta_ex -0.1542344E-02 Delta_ec 0.4071758E-03 Delta_et -0.2892306E-02 Pxc 0.4291813E+01 Qxc -0.3787907E+01 3,+1 87 3 -1 -0.065981 -0.002125 -4.476868 Rho 0.2242108E+00 |GRAD(Rho)| 0.7253477E-16 GRAD(Rho)x 0.3916680E-17 GRAD(Rho)y -0.5654792E-17 GRAD(Rho)z 0.7220786E-16 Laplacian 0.8280260E+00 (-1/4)Del**2(Rho)) -0.2070065E+00 Diamond 0.2698556E+01 Metallicity 0.6886471E+01 Ellipticity 0.8093737E-03 Gb(Abramov) 0.3755950E+00 Vb(Abramov) -0.5441836E+00 Hb(Abramov) -0.1685885E+00 Ex_ueg -0.1005990E+00 Ec_ueg -0.1335448E-01 Delta_ex -0.9828856E-01 Delta_ec 0.1866197E-01 Delta_et -0.2577585E+00 Pxc 0.7532977E+01 Qxc -0.5266785E+01 3,-1 88 3 -1 -0.544724 -0.671609 -3.185594 Rho 0.1272959E+00 |GRAD(Rho)| 0.2650526E-15 GRAD(Rho)x -0.9612130E-16 GRAD(Rho)y -0.2153903E-15 GRAD(Rho)z 0.1209156E-15 Laplacian 0.5353994E+00 (-1/4)Del**2(Rho)) -0.1338498E+00 Diamond 0.8728603E+00 Metallicity 0.4145968E+01 Ellipticity 0.2149627E-01 Gb(Abramov) 0.1817227E+00 Vb(Abramov) -0.2295957E+00 Hb(Abramov) -0.4787290E-01 Ex_ueg -0.4729380E-01 Ec_ueg -0.7006386E-02 Delta_ex -0.5502509E-01 Delta_ec 0.1373879E-01 Delta_et -0.1776487E+00 Pxc 0.6750099E+01 Qxc -0.4005091E+01 3,-1 89 3 -1 -0.065981 -0.002125 4.476868 Rho 0.2242108E+00 |GRAD(Rho)| 0.3985409E-12 GRAD(Rho)x 0.8778919E-13 GRAD(Rho)y 0.4859143E-14 GRAD(Rho)z -0.3887214E-12 Laplacian 0.8280260E+00 (-1/4)Del**2(Rho)) -0.2070065E+00 Diamond 0.2698556E+01 Metallicity 0.6886471E+01 Ellipticity 0.8093737E-03 Gb(Abramov) 0.3755950E+00 Vb(Abramov) -0.5441836E+00 Hb(Abramov) -0.1685885E+00 Ex_ueg -0.1005990E+00 Ec_ueg -0.1335448E-01 Delta_ex -0.9828856E-01 Delta_ec 0.1866197E-01 Delta_et -0.2577585E+00 Pxc 0.7532977E+01 Qxc -0.5266785E+01 3,-1 90 3 +1 -0.487028 0.785461 -1.538468 Rho 0.8317774E-02 |GRAD(Rho)| 0.1224730E-16 GRAD(Rho)x -0.7747263E-17 GRAD(Rho)y 0.5474712E-17 GRAD(Rho)z 0.7746217E-17 Laplacian 0.3027583E-01 (-1/4)Del**2(Rho)) -0.7568958E-02 Diamond 0.7017907E-03 Metallicity 0.7771931E+00 Ellipticity -0.1403394E+01 Gb(Abramov) 0.6026396E-02 Vb(Abramov) -0.4483833E-02 Hb(Abramov) 0.1542562E-02 Ex_ueg -0.1244690E-02 Ec_ueg -0.2923703E-03 Delta_ex -0.1337387E-02 Delta_ec 0.3651216E-03 Delta_et -0.2524229E-02 Pxc 0.4257238E+01 Qxc -0.3662854E+01 3,+1 91 3 -1 -0.534598 0.635165 0.000000 Rho 0.1866475E+00 |GRAD(Rho)| 0.3836767E-16 GRAD(Rho)x 0.1685680E-16 GRAD(Rho)y -0.3446535E-16 GRAD(Rho)z 0.2574771E-18 Laplacian 0.7653709E+00 (-1/4)Del**2(Rho)) -0.1913427E+00 Diamond 0.2365668E+01 Metallicity 0.5488389E+01 Ellipticity 0.6886101E-03 Gb(Abramov) 0.3025890E+00 Vb(Abramov) -0.4138354E+00 Hb(Abramov) -0.1112463E+00 Ex_ueg -0.7877976E-01 Ec_ueg -0.1082947E-01 Delta_ex -0.8939543E-01 Delta_ec 0.2299592E-01 Delta_et -0.3287383E+00 Pxc 0.7274572E+01 Qxc -0.3887447E+01 3,-1 92 3 +1 -0.487028 0.785461 1.538468 Rho 0.8317774E-02 |GRAD(Rho)| 0.1705327E-16 GRAD(Rho)x 0.1580250E-16 GRAD(Rho)y -0.4831601E-17 GRAD(Rho)z -0.4213164E-17 Laplacian 0.3027583E-01 (-1/4)Del**2(Rho)) -0.7568958E-02 Diamond 0.7017907E-03 Metallicity 0.7771931E+00 Ellipticity -0.1403394E+01 Gb(Abramov) 0.6026396E-02 Vb(Abramov) -0.4483833E-02 Hb(Abramov) 0.1542562E-02 Ex_ueg -0.1244690E-02 Ec_ueg -0.2923703E-03 Delta_ex -0.1337387E-02 Delta_ec 0.3651216E-03 Delta_et -0.2524229E-02 Pxc 0.4257238E+01 Qxc -0.3662854E+01 3,+1 93 3 -1 -0.534400 0.703901 -3.208551 Rho 0.1297904E+00 |GRAD(Rho)| 0.2569830E-15 GRAD(Rho)x -0.2323581E-15 GRAD(Rho)y 0.1011967E-15 GRAD(Rho)z -0.4253461E-16 Laplacian 0.5356950E+00 (-1/4)Del**2(Rho)) -0.1339238E+00 Diamond 0.8980028E+00 Metallicity 0.4279895E+01 Ellipticity 0.1372682E-01 Gb(Abramov) 0.1848124E+00 Vb(Abramov) -0.2357011E+00 Hb(Abramov) -0.5088868E-01 Ex_ueg -0.4853352E-01 Ec_ueg -0.7162651E-02 Delta_ex -0.5536386E-01 Delta_ec 0.1376964E-01 Delta_et -0.1787616E+00 Pxc 0.6775915E+01 Qxc -0.4020720E+01 3,-1 94 3 +1 0.233775 1.931486 -2.241281 Rho 0.6020470E-02 |GRAD(Rho)| 0.1151023E-16 GRAD(Rho)x 0.9303433E-17 GRAD(Rho)y 0.4813083E-17 GRAD(Rho)z 0.4771353E-17 Laplacian 0.2526796E-01 (-1/4)Del**2(Rho)) -0.6316991E-02 Diamond 0.6557272E-03 Metallicity 0.5433674E+00 Ellipticity -0.1984204E+01 Gb(Abramov) 0.4783402E-02 Vb(Abramov) -0.3249812E-02 Hb(Abramov) 0.1533589E-02 Ex_ueg -0.8088951E-03 Ec_ueg -0.1910887E-03 Delta_ex -0.1229753E-02 Delta_ec 0.6652743E-03 Delta_et -0.3871234E-02 Pxc 0.4233087E+01 Qxc -0.1848489E+01 3,+1 95 3 +1 0.497157 1.464866 -0.857245 Rho 0.7729612E-02 |GRAD(Rho)| 0.7644271E-13 GRAD(Rho)x 0.2553378E-13 GRAD(Rho)y 0.6491830E-13 GRAD(Rho)z -0.3125905E-13 Laplacian 0.2872417E-01 (-1/4)Del**2(Rho)) -0.7181042E-02 Diamond 0.6366944E-03 Metallicity 0.7249286E+00 Ellipticity -0.1411737E+01 Gb(Abramov) 0.5654985E-02 Vb(Abramov) -0.4128928E-02 Hb(Abramov) 0.1526057E-02 Ex_ueg -0.1128744E-02 Ec_ueg -0.2662064E-03 Delta_ex -0.1262866E-02 Delta_ec 0.3781932E-03 Delta_et -0.2536507E-02 Pxc 0.4240107E+01 Qxc -0.3339208E+01 3,+1 96 3 +1 0.497157 1.464866 0.857245 Rho 0.7729612E-02 |GRAD(Rho)| 0.7729705E-17 GRAD(Rho)x 0.5162011E-17 GRAD(Rho)y 0.5131040E-17 GRAD(Rho)z 0.2602769E-17 Laplacian 0.2872417E-01 (-1/4)Del**2(Rho)) -0.7181042E-02 Diamond 0.6366944E-03 Metallicity 0.7249286E+00 Ellipticity -0.1411737E+01 Gb(Abramov) 0.5654985E-02 Vb(Abramov) -0.4128928E-02 Hb(Abramov) 0.1526057E-02 Ex_ueg -0.1128744E-02 Ec_ueg -0.2662064E-03 Delta_ex -0.1262866E-02 Delta_ec 0.3781932E-03 Delta_et -0.2536507E-02 Pxc 0.4240107E+01 Qxc -0.3339208E+01 3,+1 97 3 +1 0.233775 1.931486 2.241281 Rho 0.6020470E-02 |GRAD(Rho)| 0.1238998E-16 GRAD(Rho)x 0.9920514E-17 GRAD(Rho)y 0.3690716E-17 GRAD(Rho)z -0.6440005E-17 Laplacian 0.2526796E-01 (-1/4)Del**2(Rho)) -0.6316991E-02 Diamond 0.6557272E-03 Metallicity 0.5433674E+00 Ellipticity -0.1984204E+01 Gb(Abramov) 0.4783402E-02 Vb(Abramov) -0.3249812E-02 Hb(Abramov) 0.1533589E-02 Ex_ueg -0.8088951E-03 Ec_ueg -0.1910887E-03 Delta_ex -0.1229753E-02 Delta_ec 0.6652743E-03 Delta_et -0.3871234E-02 Pxc 0.4233087E+01 Qxc -0.1848489E+01 3,+1 98 3 +3 1.130594 1.432379 -0.000000 Rho 0.4196175E-02 |GRAD(Rho)| 0.5268570E-14 GRAD(Rho)x 0.3117621E-14 GRAD(Rho)y 0.4247145E-14 GRAD(Rho)z -0.4724011E-17 Laplacian 0.1496522E-01 (-1/4)Del**2(Rho)) -0.3741304E-02 Diamond 0.7963086E-04 Metallicity 0.5026737E+00 Ellipticity -0.2217300E+00 Gb(Abramov) 0.2807645E-02 Vb(Abramov) -0.1873987E-02 Hb(Abramov) 0.9336589E-03 Ex_ueg -0.4998694E-03 Ec_ueg -0.1124867E-03 Delta_ex -0.4895700E-03 Delta_ec 0.6046874E-04 Delta_et -0.4801921E-03 Pxc 0.4443811E+01 Qxc -0.8096249E+01 3,+3 99 3 -1 1.764589 0.798835 -1.621811 Rho 0.3418919E-01 |GRAD(Rho)| 0.3601632E-16 GRAD(Rho)x -0.2816692E-16 GRAD(Rho)y -0.2011979E-16 GRAD(Rho)z 0.9949593E-17 Laplacian 0.1375220E+00 (-1/4)Del**2(Rho)) -0.3438049E-01 Diamond 0.4138520E-01 Metallicity 0.1804633E+01 Ellipticity 0.6774122E-01 Gb(Abramov) 0.3326103E-01 Vb(Abramov) -0.3214156E-01 Hb(Abramov) 0.1119467E-02 Ex_ueg -0.8195398E-02 Ec_ueg -0.1561646E-02 Delta_ex -0.1028651E-01 Delta_ec 0.4083226E-02 Delta_et -0.3888256E-01 Pxc 0.5247923E+01 Qxc -0.2519212E+01 3,-1 100 3 +1 1.740095 0.701982 -0.000000 Rho 0.6482620E-02 |GRAD(Rho)| 0.1033814E-16 GRAD(Rho)x -0.6624248E-17 GRAD(Rho)y -0.5740885E-17 GRAD(Rho)z -0.5480754E-17 Laplacian 0.2346714E-01 (-1/4)Del**2(Rho)) -0.5866786E-02 Diamond 0.4215018E-03 Metallicity 0.6618160E+00 Ellipticity -0.1402484E+01 Gb(Abramov) 0.4558312E-02 Vb(Abramov) -0.3249839E-02 Hb(Abramov) 0.1308473E-02 Ex_ueg -0.8927280E-03 Ec_ueg -0.2112635E-03 Delta_ex -0.9949969E-03 Delta_ec 0.3231060E-03 Delta_et -0.2058460E-02 Pxc 0.4225660E+01 Qxc -0.3079475E+01 3,+1 101 3 -1 1.764589 0.798835 1.621811 Rho 0.3418919E-01 |GRAD(Rho)| 0.1934710E-13 GRAD(Rho)x 0.1172395E-13 GRAD(Rho)y 0.1447535E-13 GRAD(Rho)z 0.5227191E-14 Laplacian 0.1375220E+00 (-1/4)Del**2(Rho)) -0.3438049E-01 Diamond 0.4138520E-01 Metallicity 0.1804633E+01 Ellipticity 0.6774122E-01 Gb(Abramov) 0.3326103E-01 Vb(Abramov) -0.3214156E-01 Hb(Abramov) 0.1119467E-02 Ex_ueg -0.8195398E-02 Ec_ueg -0.1561646E-02 Delta_ex -0.1028651E-01 Delta_ec 0.4083226E-02 Delta_et -0.3888256E-01 Pxc 0.5247923E+01 Qxc -0.2519212E+01 3,-1 102 3 -1 2.005515 1.543565 -2.725026 Rho 0.1182446E+00 |GRAD(Rho)| 0.2004011E-15 GRAD(Rho)x -0.1961051E-15 GRAD(Rho)y -0.3258028E-16 GRAD(Rho)z 0.2533645E-16 Laplacian 0.4553761E+00 (-1/4)Del**2(Rho)) -0.1138440E+00 Diamond 0.6900048E+00 Metallicity 0.4310674E+01 Ellipticity 0.3941986E-01 Gb(Abramov) 0.1576868E+00 Vb(Abramov) -0.2015295E+00 Hb(Abramov) -0.4384274E-01 Ex_ueg -0.4286408E-01 Ec_ueg -0.6442926E-02 Delta_ex -0.4612219E-01 Delta_ec 0.1215119E-01 Delta_et -0.1556453E+00 Pxc 0.6652890E+01 Qxc -0.3795694E+01 3,-1 103 3 +1 1.431704 0.761231 -2.266284 Rho 0.2414928E-01 |GRAD(Rho)| 0.3257807E-16 GRAD(Rho)x 0.3116495E-17 GRAD(Rho)y -0.1553682E-16 GRAD(Rho)z 0.2846446E-16 Laplacian 0.9071369E-01 (-1/4)Del**2(Rho)) -0.2267842E-01 Diamond 0.1016494E-01 Metallicity 0.1532665E+01 Ellipticity -0.2624345E+01 Gb(Abramov) 0.2091202E-01 Vb(Abramov) -0.1914562E-01 Hb(Abramov) 0.1766403E-02 Ex_ueg -0.5155339E-02 Ec_ueg -0.1045978E-02 Delta_ex -0.5459540E-02 Delta_ec 0.1306368E-02 Delta_et -0.1149368E-01 Pxc 0.4928728E+01 Qxc -0.4179173E+01 3,+1 104 3 +1 1.431704 0.761231 2.266284 Rho 0.2414928E-01 |GRAD(Rho)| 0.5506630E-16 GRAD(Rho)x -0.2010467E-17 GRAD(Rho)y -0.1901667E-16 GRAD(Rho)z -0.5163934E-16 Laplacian 0.9071369E-01 (-1/4)Del**2(Rho)) -0.2267842E-01 Diamond 0.1016494E-01 Metallicity 0.1532665E+01 Ellipticity -0.2624345E+01 Gb(Abramov) 0.2091202E-01 Vb(Abramov) -0.1914562E-01 Hb(Abramov) 0.1766403E-02 Ex_ueg -0.5155339E-02 Ec_ueg -0.1045978E-02 Delta_ex -0.5459540E-02 Delta_ec 0.1306368E-02 Delta_et -0.1149368E-01 Pxc 0.4928728E+01 Qxc -0.4179173E+01 3,+1 105 3 -1 2.005515 1.543565 2.725026 Rho 0.1182446E+00 |GRAD(Rho)| 0.1529605E-14 GRAD(Rho)x -0.1184708E-14 GRAD(Rho)y -0.6700945E-15 GRAD(Rho)z 0.6979484E-15 Laplacian 0.4553761E+00 (-1/4)Del**2(Rho)) -0.1138440E+00 Diamond 0.6900048E+00 Metallicity 0.4310674E+01 Ellipticity 0.3941986E-01 Gb(Abramov) 0.1576868E+00 Vb(Abramov) -0.2015295E+00 Hb(Abramov) -0.4384274E-01 Ex_ueg -0.4286408E-01 Ec_ueg -0.6442926E-02 Delta_ex -0.4612219E-01 Delta_ec 0.1215119E-01 Delta_et -0.1556453E+00 Pxc 0.6652890E+01 Qxc -0.3795694E+01 3,-1 106 3 -1 3.026181 0.086744 0.000000 Rho 0.5571905E-02 |GRAD(Rho)| 0.2498939E-16 GRAD(Rho)x 0.6571437E-18 GRAD(Rho)y 0.2498046E-16 GRAD(Rho)z -0.1204962E-18 Laplacian 0.2178577E-01 (-1/4)Del**2(Rho)) -0.5446443E-02 Diamond 0.7123427E-03 Metallicity 0.5539191E+00 Ellipticity 0.1234931E+01 Gb(Abramov) 0.4133777E-02 Vb(Abramov) -0.2821111E-02 Hb(Abramov) 0.1312666E-02 Ex_ueg -0.7295527E-03 Ec_ueg -0.1716066E-03 Delta_ex -0.1206407E-02 Delta_ec 0.8648817E-03 Delta_et -0.4780791E-02 Pxc 0.4251308E+01 Qxc -0.1394881E+01 3,-1 107 3 -1 3.201542 2.370178 2.234832 Rho 0.2233872E+00 |GRAD(Rho)| 0.3426461E-15 GRAD(Rho)x -0.3383253E-15 GRAD(Rho)y -0.5166223E-16 GRAD(Rho)z -0.1653408E-16 Laplacian 0.8009147E+00 (-1/4)Del**2(Rho)) -0.2002287E+00 Diamond 0.2615606E+01 Metallicity 0.7076046E+01 Ellipticity 0.8147712E-02 Gb(Abramov) 0.3696237E+00 Vb(Abramov) -0.5390186E+00 Hb(Abramov) -0.1693950E+00 Ex_ueg -0.1001066E+00 Ec_ueg -0.1329828E-01 Delta_ex -0.9507899E-01 Delta_ec 0.1824713E-01 Delta_et -0.2526935E+00 Pxc 0.7527785E+01 Qxc -0.5210627E+01 3,-1 108 3 -1 3.039807 0.881974 -2.040288 Rho 0.1723879E+00 |GRAD(Rho)| 0.4671328E-15 GRAD(Rho)x -0.1148577E-15 GRAD(Rho)y 0.4235165E-15 GRAD(Rho)z 0.1601705E-15 Laplacian 0.6648529E+00 (-1/4)Del**2(Rho)) -0.1662132E+00 Diamond 0.1573730E+01 Metallicity 0.5534334E+01 Ellipticity 0.5978073E-01 Gb(Abramov) 0.2641221E+00 Vb(Abramov) -0.3620309E+00 Hb(Abramov) -0.9790885E-01 Ex_ueg -0.7085883E-01 Ec_ueg -0.9891745E-02 Delta_ex -0.7375204E-01 Delta_ec 0.1600912E-01 Delta_et -0.2161289E+00 Pxc 0.7163430E+01 Qxc -0.4606878E+01 3,-1 109 3 -1 3.039807 0.881974 2.040288 Rho 0.1723879E+00 |GRAD(Rho)| 0.3016300E-15 GRAD(Rho)x -0.4594307E-17 GRAD(Rho)y 0.2894007E-15 GRAD(Rho)z -0.8489303E-16 Laplacian 0.6648529E+00 (-1/4)Del**2(Rho)) -0.1662132E+00 Diamond 0.1573730E+01 Metallicity 0.5534334E+01 Ellipticity 0.5978073E-01 Gb(Abramov) 0.2641221E+00 Vb(Abramov) -0.3620309E+00 Hb(Abramov) -0.9790885E-01 Ex_ueg -0.7085883E-01 Ec_ueg -0.9891745E-02 Delta_ex -0.7375204E-01 Delta_ec 0.1600912E-01 Delta_et -0.2161289E+00 Pxc 0.7163430E+01 Qxc -0.4606878E+01 3,-1 110 3 -1 -3.001905 2.084887 -0.804670 Rho 0.1271823E+00 |GRAD(Rho)| 0.1936655E-14 GRAD(Rho)x -0.7719926E-15 GRAD(Rho)y -0.1722452E-14 GRAD(Rho)z 0.4333827E-15 Laplacian 0.4875739E+00 (-1/4)Del**2(Rho)) -0.1218935E+00 Diamond 0.8077254E+00 Metallicity 0.4545873E+01 Ellipticity 0.5137270E-01 Gb(Abramov) 0.1736144E+00 Vb(Abramov) -0.2253353E+00 Hb(Abramov) -0.5172090E-01 Ex_ueg -0.4723756E-01 Ec_ueg -0.6999282E-02 Delta_ex -0.5026896E-01 Delta_ec 0.1281756E-01 Delta_et -0.1662756E+00 Pxc 0.6748914E+01 Qxc -0.3921882E+01 3,-1 111 3 -1 -3.001905 2.084887 0.804670 Rho 0.1271823E+00 |GRAD(Rho)| 0.7913982E-12 GRAD(Rho)x -0.3219638E-12 GRAD(Rho)y 0.1860471E-12 GRAD(Rho)z -0.6985964E-12 Laplacian 0.4875739E+00 (-1/4)Del**2(Rho)) -0.1218935E+00 Diamond 0.8077254E+00 Metallicity 0.4545873E+01 Ellipticity 0.5137270E-01 Gb(Abramov) 0.1736144E+00 Vb(Abramov) -0.2253353E+00 Hb(Abramov) -0.5172090E-01 Ex_ueg -0.4723756E-01 Ec_ueg -0.6999282E-02 Delta_ex -0.5026896E-01 Delta_ec 0.1281756E-01 Delta_et -0.1662756E+00 Pxc 0.6748914E+01 Qxc -0.3921882E+01 3,-1 112 3 -1 -3.200296 2.212686 -2.309704 Rho 0.2198219E+00 |GRAD(Rho)| 0.3627936E-15 GRAD(Rho)x 0.3308985E-15 GRAD(Rho)y -0.1465570E-15 GRAD(Rho)z 0.2542454E-16 Laplacian 0.8063486E+00 (-1/4)Del**2(Rho)) -0.2015871E+00 Diamond 0.2566312E+01 Metallicity 0.6842402E+01 Ellipticity 0.7738789E-02 Gb(Abramov) 0.3642815E+00 Vb(Abramov) -0.5269758E+00 Hb(Abramov) -0.1626943E+00 Ex_ueg -0.9798201E-01 Ec_ueg -0.1305542E-01 Delta_ex -0.9522784E-01 Delta_ec 0.1827816E-01 Delta_et -0.2521931E+00 Pxc 0.7505081E+01 Qxc -0.5209924E+01 3,-1 113 3 -1 -3.200296 2.212686 2.309704 Rho 0.2198219E+00 |GRAD(Rho)| 0.3334310E-14 GRAD(Rho)x 0.2303875E-14 GRAD(Rho)y -0.1387616E-14 GRAD(Rho)z -0.1970863E-14 Laplacian 0.8063486E+00 (-1/4)Del**2(Rho)) -0.2015871E+00 Diamond 0.2566312E+01 Metallicity 0.6842402E+01 Ellipticity 0.7738789E-02 Gb(Abramov) 0.3642815E+00 Vb(Abramov) -0.5269758E+00 Hb(Abramov) -0.1626943E+00 Ex_ueg -0.9798201E-01 Ec_ueg -0.1305542E-01 Delta_ex -0.9522784E-01 Delta_ec 0.1827816E-01 Delta_et -0.2521931E+00 Pxc 0.7505081E+01 Qxc -0.5209924E+01 3,-1 114 3 -1 -0.566766 2.444063 -0.000000 Rho 0.4009237E-01 |GRAD(Rho)| 0.1590729E-15 GRAD(Rho)x 0.4773475E-16 GRAD(Rho)y 0.1502164E-15 GRAD(Rho)z 0.2146165E-16 Laplacian 0.1638477E+00 (-1/4)Del**2(Rho)) -0.4096193E-01 Diamond 0.6218121E-01 Metallicity 0.1975191E+01 Ellipticity 0.6954403E-02 Gb(Abramov) 0.4079256E-01 Vb(Abramov) -0.4062318E-01 Hb(Abramov) 0.1693737E-03 Ex_ueg -0.1013446E-01 Ec_ueg -0.1875021E-02 Delta_ex -0.1280141E-01 Delta_ec 0.4958243E-02 Delta_et -0.4931501E-01 Pxc 0.5404985E+01 Qxc -0.2581844E+01 3,-1 115 3 +1 -1.996139 2.920238 -0.000000 Rho 0.1203057E-01 |GRAD(Rho)| 0.1819524E-16 GRAD(Rho)x -0.1758200E-16 GRAD(Rho)y -0.4681465E-17 GRAD(Rho)z -0.1548176E-18 Laplacian 0.5546213E-01 (-1/4)Del**2(Rho)) -0.1386553E-01 Diamond 0.1728992E-02 Metallicity 0.7848028E+00 Ellipticity -0.1109467E+01 Gb(Abramov) 0.1105731E-01 Vb(Abramov) -0.8249081E-02 Hb(Abramov) 0.2808226E-02 Ex_ueg -0.2035949E-02 Ec_ueg -0.4609806E-03 Delta_ex -0.2583708E-02 Delta_ec 0.4622071E-03 Delta_et -0.3665700E-02 Pxc 0.4416561E+01 Qxc -0.5589935E+01 3,+1 116 3 +1 1.786325 2.475378 -0.000000 Rho 0.1198039E-01 |GRAD(Rho)| 0.2297816E-16 GRAD(Rho)x -0.5176615E-17 GRAD(Rho)y 0.6062486E-17 GRAD(Rho)z -0.2155098E-16 Laplacian 0.5965366E-01 (-1/4)Del**2(Rho)) -0.1491341E-01 Diamond 0.2368440E-02 Metallicity 0.7245932E+00 Ellipticity -0.1245068E+01 Gb(Abramov) 0.1174330E-01 Vb(Abramov) -0.8573191E-02 Hb(Abramov) 0.3170112E-02 Ex_ueg -0.2024633E-02 Ec_ueg -0.4586637E-03 Delta_ex -0.2926186E-02 Delta_ec 0.7657532E-03 Delta_et -0.5746153E-02 Pxc 0.4414198E+01 Qxc -0.3821318E+01 3,+1 117 3 -1 0.537623 3.224292 -0.675395 Rho 0.1257599E+00 |GRAD(Rho)| 0.2009255E-14 GRAD(Rho)x -0.1177383E-14 GRAD(Rho)y 0.1051724E-14 GRAD(Rho)z 0.1242882E-14 Laplacian 0.5177459E+00 (-1/4)Del**2(Rho)) -0.1294365E+00 Diamond 0.8408847E+00 Metallicity 0.4201461E+01 Ellipticity 0.1506104E-01 Gb(Abramov) 0.1769280E+00 Vb(Abramov) -0.2244196E+00 Hb(Abramov) -0.4749156E-01 Ex_ueg -0.4653448E-01 Ec_ueg -0.6910376E-02 Delta_ex -0.5316866E-01 Delta_ec 0.1352771E-01 Delta_et -0.1749491E+00 Pxc 0.6734001E+01 Qxc -0.3930351E+01 3,-1 118 3 -1 0.537623 3.224292 0.675395 Rho 0.1257599E+00 |GRAD(Rho)| 0.2087709E-14 GRAD(Rho)x -0.1167821E-14 GRAD(Rho)y 0.1158301E-14 GRAD(Rho)z -0.1285715E-14 Laplacian 0.5177459E+00 (-1/4)Del**2(Rho)) -0.1294365E+00 Diamond 0.8408847E+00 Metallicity 0.4201461E+01 Ellipticity 0.1506104E-01 Gb(Abramov) 0.1769280E+00 Vb(Abramov) -0.2244196E+00 Hb(Abramov) -0.4749156E-01 Ex_ueg -0.4653448E-01 Ec_ueg -0.6910376E-02 Delta_ex -0.5316866E-01 Delta_ec 0.1352771E-01 Delta_et -0.1749491E+00 Pxc 0.6734001E+01 Qxc -0.3930351E+01 3,-1 119 3 -1 0.088556 4.532426 0.000000 Rho 0.2214450E+00 |GRAD(Rho)| 0.3499789E-10 GRAD(Rho)x 0.8362361E-11 GRAD(Rho)y 0.3398416E-10 GRAD(Rho)z -0.1448542E-15 Laplacian 0.8031472E+00 (-1/4)Del**2(Rho)) -0.2007868E+00 Diamond 0.2586578E+01 Metallicity 0.6954422E+01 Ellipticity 0.1845543E-03 Gb(Abramov) 0.3665839E+00 Vb(Abramov) -0.5323810E+00 Hb(Abramov) -0.1657971E+00 Ex_ueg -0.9894780E-01 Ec_ueg -0.1316590E-01 Delta_ex -0.9507625E-01 Delta_ec 0.1824927E-01 Delta_et -0.2522240E+00 Pxc 0.7515463E+01 Qxc -0.5209865E+01 3,-1 120 3 -1 1.451235 -3.058166 0.000000 Rho 0.8029724E-02 |GRAD(Rho)| 0.4757832E-13 GRAD(Rho)x -0.4692707E-13 GRAD(Rho)y 0.7845132E-14 GRAD(Rho)z -0.2875562E-17 Laplacian 0.3300840E-01 (-1/4)Del**2(Rho)) -0.8252101E-02 Diamond 0.1946877E-02 Metallicity 0.6721864E+00 Ellipticity 0.3541919E+00 Gb(Abramov) 0.6425892E-02 Vb(Abramov) -0.4599684E-02 Hb(Abramov) 0.1826209E-02 Ex_ueg -0.1187552E-02 Ec_ueg -0.2795371E-03 Delta_ex -0.2046099E-02 Delta_ec 0.1471509E-02 Delta_et -0.9046786E-02 Pxc 0.4248280E+01 Qxc -0.1390476E+01 3,-1 121 3 -1 1.826479 2.338859 -1.563289 Rho 0.1291136E+00 |GRAD(Rho)| 0.1170159E-15 GRAD(Rho)x -0.5227210E-16 GRAD(Rho)y -0.3371869E-16 GRAD(Rho)z 0.9911302E-16 Laplacian 0.5444741E+00 (-1/4)Del**2(Rho)) -0.1361185E+00 Diamond 0.9050264E+00 Metallicity 0.4174352E+01 Ellipticity 0.1117584E-01 Gb(Abramov) 0.1854468E+00 Vb(Abramov) -0.2347751E+00 Hb(Abramov) -0.4932827E-01 Ex_ueg -0.4819636E-01 Ec_ueg -0.7120212E-02 Delta_ex -0.5617594E-01 Delta_ec 0.1397000E-01 Delta_et -0.1811318E+00 Pxc 0.6768951E+01 Qxc -0.4021184E+01 3,-1 122 3 -1 1.826479 2.338859 1.563289 Rho 0.1291136E+00 |GRAD(Rho)| 0.3736139E-13 GRAD(Rho)x -0.3192001E-13 GRAD(Rho)y -0.1049420E-13 GRAD(Rho)z -0.1633580E-13 Laplacian 0.5444741E+00 (-1/4)Del**2(Rho)) -0.1361185E+00 Diamond 0.9050264E+00 Metallicity 0.4174352E+01 Ellipticity 0.1117584E-01 Gb(Abramov) 0.1854468E+00 Vb(Abramov) -0.2347751E+00 Hb(Abramov) -0.4932827E-01 Ex_ueg -0.4819636E-01 Ec_ueg -0.7120212E-02 Delta_ex -0.5617594E-01 Delta_ec 0.1397000E-01 Delta_et -0.1811318E+00 Pxc 0.6768951E+01 Qxc -0.4021184E+01 3,-1 123 3 +3 2.313914 0.095591 0.000000 Rho 0.4340033E-02 |GRAD(Rho)| 0.2503416E-17 GRAD(Rho)x 0.2357552E-17 GRAD(Rho)y 0.8081118E-18 GRAD(Rho)z -0.2366278E-18 Laplacian 0.1742353E-01 (-1/4)Del**2(Rho)) -0.4355883E-02 Diamond 0.1336333E-03 Metallicity 0.4567010E+00 Ellipticity -0.3970050E+00 Gb(Abramov) 0.3235478E-02 Vb(Abramov) -0.2115073E-02 Hb(Abramov) 0.1120405E-02 Ex_ueg -0.5228483E-03 Ec_ueg -0.1186232E-03 Delta_ex -0.6163148E-03 Delta_ec 0.1435856E-03 Delta_et -0.9132112E-03 Pxc 0.4407639E+01 Qxc -0.4292316E+01 3,+3 124 3 +1 3.026211 0.081927 -0.336157 Rho 0.5426490E-02 |GRAD(Rho)| 0.3923308E-16 GRAD(Rho)x 0.1011272E-16 GRAD(Rho)y -0.1181239E-16 GRAD(Rho)z -0.3601992E-16 Laplacian 0.2224038E-01 (-1/4)Del**2(Rho)) -0.5560096E-02 Diamond 0.5022440E-03 Metallicity 0.5192014E+00 Ellipticity -0.1937257E+01 Gb(Abramov) 0.4187866E-02 Vb(Abramov) -0.2815635E-02 Hb(Abramov) 0.1372230E-02 Ex_ueg -0.7042773E-03 Ec_ueg -0.1653123E-03 Delta_ex -0.1059583E-02 Delta_ec 0.5862502E-03 Delta_et -0.3308665E-02 Pxc 0.4260284E+01 Qxc -0.1807391E+01 3,+1 125 3 +1 3.026211 0.081927 0.336157 Rho 0.5426490E-02 |GRAD(Rho)| 0.7435734E-15 GRAD(Rho)x -0.7393771E-15 GRAD(Rho)y -0.5489274E-16 GRAD(Rho)z -0.5665379E-16 Laplacian 0.2224038E-01 (-1/4)Del**2(Rho)) -0.5560096E-02 Diamond 0.5022440E-03 Metallicity 0.5192014E+00 Ellipticity -0.1937257E+01 Gb(Abramov) 0.4187866E-02 Vb(Abramov) -0.2815635E-02 Hb(Abramov) 0.1372230E-02 Ex_ueg -0.7042773E-03 Ec_ueg -0.1653123E-03 Delta_ex -0.1059583E-02 Delta_ec 0.5862502E-03 Delta_et -0.3308665E-02 Pxc 0.4260284E+01 Qxc -0.1807391E+01 3,+1 126 3 -1 -2.163339 -2.967999 -1.714259 Rho 0.2203244E+00 |GRAD(Rho)| 0.6747152E-14 GRAD(Rho)x -0.4924419E-14 GRAD(Rho)y -0.2116796E-14 GRAD(Rho)z 0.4097967E-14 Laplacian 0.8315376E+00 (-1/4)Del**2(Rho)) -0.2078844E+00 Diamond 0.2635850E+01 Metallicity 0.6660430E+01 Ellipticity 0.9797427E-02 Gb(Abramov) 0.3693562E+00 Vb(Abramov) -0.5308280E+00 Hb(Abramov) -0.1614718E+00 Ex_ueg -0.9828076E-01 Ec_ueg -0.1308961E-01 Delta_ex -0.9815375E-01 Delta_ec 0.1864613E-01 Delta_et -0.2565490E+00 Pxc 0.7508304E+01 Qxc -0.5264028E+01 3,-1 127 3 +1 -0.305918 -2.653303 1.264750 Rho 0.2800668E-02 |GRAD(Rho)| 0.2355137E-15 GRAD(Rho)x 0.2122070E-15 GRAD(Rho)y 0.9297744E-16 GRAD(Rho)z 0.4230985E-16 Laplacian 0.1127995E-01 (-1/4)Del**2(Rho)) -0.2819987E-02 Diamond 0.8994348E-04 Metallicity 0.3399451E+00 Ellipticity -0.1219238E+01 Gb(Abramov) 0.2039764E-02 Vb(Abramov) -0.1259542E-02 Hb(Abramov) 0.7802221E-03 Ex_ueg -0.2915639E-03 Ec_ueg -0.5353016E-04 Delta_ex -0.4418364E-03 Delta_ec 0.2442348E-03 Delta_et -0.1159375E-02 Pxc 0.5446723E+01 Qxc -0.1809064E+01 3,+1 128 3 +1 -0.305918 -2.653303 -1.264750 Rho 0.2800668E-02 |GRAD(Rho)| 0.5151651E-14 GRAD(Rho)x -0.1940824E-14 GRAD(Rho)y 0.3003235E-14 GRAD(Rho)z -0.3708543E-14 Laplacian 0.1127995E-01 (-1/4)Del**2(Rho)) -0.2819987E-02 Diamond 0.8994348E-04 Metallicity 0.3399451E+00 Ellipticity -0.1219238E+01 Gb(Abramov) 0.2039764E-02 Vb(Abramov) -0.1259542E-02 Hb(Abramov) 0.7802221E-03 Ex_ueg -0.2915639E-03 Ec_ueg -0.5353016E-04 Delta_ex -0.4418364E-03 Delta_ec 0.2442348E-03 Delta_et -0.1159375E-02 Pxc 0.5446723E+01 Qxc -0.1809064E+01 3,+1 129 3 +3 -0.284131 -2.503851 -1.461226 Rho 0.2775205E-02 |GRAD(Rho)| 0.1308374E-12 GRAD(Rho)x 0.5690333E-13 GRAD(Rho)y -0.7555982E-13 GRAD(Rho)z 0.9039435E-13 Laplacian 0.1118507E-01 (-1/4)Del**2(Rho)) -0.2796266E-02 Diamond 0.7899475E-04 Metallicity 0.3376498E+00 Ellipticity -0.5917303E+00 Gb(Abramov) 0.2021537E-02 Vb(Abramov) -0.1246808E-02 Hb(Abramov) 0.7747290E-03 Ex_ueg -0.2880350E-03 Ec_ueg -0.5246427E-04 Delta_ex -0.4187828E-03 Delta_ec 0.2090863E-03 Delta_et -0.1009849E-02 Pxc 0.5490116E+01 Qxc -0.2002919E+01 3,+3 130 3 +3 -0.284131 -2.503851 1.461226 Rho 0.2775205E-02 |GRAD(Rho)| 0.5835817E-15 GRAD(Rho)x 0.5370915E-15 GRAD(Rho)y 0.2173814E-15 GRAD(Rho)z 0.6961062E-16 Laplacian 0.1118507E-01 (-1/4)Del**2(Rho)) -0.2796266E-02 Diamond 0.7899475E-04 Metallicity 0.3376498E+00 Ellipticity -0.5917303E+00 Gb(Abramov) 0.2021537E-02 Vb(Abramov) -0.1246808E-02 Hb(Abramov) 0.7747290E-03 Ex_ueg -0.2880350E-03 Ec_ueg -0.5246427E-04 Delta_ex -0.4187828E-03 Delta_ec 0.2090863E-03 Delta_et -0.1009849E-02 Pxc 0.5490116E+01 Qxc -0.2002919E+01 3,+3 131 3 +1 -0.532356 -0.880149 -1.474609 Rho 0.9253890E-02 |GRAD(Rho)| 0.8958851E-17 GRAD(Rho)x -0.6892312E-17 GRAD(Rho)y -0.2866735E-17 GRAD(Rho)z -0.4953672E-17 Laplacian 0.3399542E-01 (-1/4)Del**2(Rho)) -0.8498854E-02 Diamond 0.9077848E-03 Metallicity 0.8267992E+00 Ellipticity -0.1430778E+01 Gb(Abramov) 0.6837044E-02 Vb(Abramov) -0.5175233E-02 Hb(Abramov) 0.1661810E-02 Ex_ueg -0.1434886E-02 Ec_ueg -0.3343311E-03 Delta_ex -0.1542344E-02 Delta_ec 0.4071758E-03 Delta_et -0.2892306E-02 Pxc 0.4291813E+01 Qxc -0.3787907E+01 3,+1 132 3 -1 -0.534400 0.703901 3.208551 Rho 0.1297904E+00 |GRAD(Rho)| 0.1296290E-15 GRAD(Rho)x -0.6770843E-16 GRAD(Rho)y 0.8986681E-16 GRAD(Rho)z 0.6436773E-16 Laplacian 0.5356950E+00 (-1/4)Del**2(Rho)) -0.1339238E+00 Diamond 0.8980028E+00 Metallicity 0.4279895E+01 Ellipticity 0.1372682E-01 Gb(Abramov) 0.1848124E+00 Vb(Abramov) -0.2357011E+00 Hb(Abramov) -0.5088868E-01 Ex_ueg -0.4853352E-01 Ec_ueg -0.7162651E-02 Delta_ex -0.5536386E-01 Delta_ec 0.1376964E-01 Delta_et -0.1787616E+00 Pxc 0.6775915E+01 Qxc -0.4020720E+01 3,-1 133 3 +1 1.745257 -2.746582 -0.000000 Rho 0.7410517E-02 |GRAD(Rho)| 0.4108564E-17 GRAD(Rho)x 0.2785412E-17 GRAD(Rho)y 0.1941158E-18 GRAD(Rho)z 0.3013983E-17 Laplacian 0.3397155E-01 (-1/4)Del**2(Rho)) -0.8492887E-02 Diamond 0.1084327E-02 Metallicity 0.5713629E+00 Ellipticity -0.1691367E+01 Gb(Abramov) 0.6470678E-02 Vb(Abramov) -0.4448469E-02 Hb(Abramov) 0.2022209E-02 Ex_ueg -0.1067046E-02 Ec_ueg -0.2520779E-03 Delta_ex -0.1682865E-02 Delta_ec 0.8135530E-03 Delta_et -0.5066912E-02 Pxc 0.4233001E+01 Qxc -0.2068538E+01 3,+1 134 3 -1 2.992697 -0.798648 -2.019321 Rho 0.7130476E-01 |GRAD(Rho)| 0.8154231E-14 GRAD(Rho)x 0.6578039E-14 GRAD(Rho)y -0.4328450E-14 GRAD(Rho)z -0.2117875E-14 Laplacian 0.2869430E+00 (-1/4)Del**2(Rho)) -0.7173576E-01 Diamond 0.2348726E+00 Metallicity 0.2944523E+01 Ellipticity 0.8827248E-02 Gb(Abramov) 0.8302844E-01 Vb(Abramov) -0.9432112E-01 Hb(Abramov) -0.1129268E-01 Ex_ueg -0.2183784E-01 Ec_ueg -0.3622603E-02 Delta_ex -0.2583511E-01 Delta_ec 0.8487978E-02 Delta_et -0.9789426E-01 Pxc 0.6028218E+01 Qxc -0.3043730E+01 3,-1 135 3 -1 2.992697 -0.798648 2.019321 Rho 0.7130476E-01 |GRAD(Rho)| 0.8124589E-14 GRAD(Rho)x 0.6562259E-14 GRAD(Rho)y -0.4292072E-14 GRAD(Rho)z 0.2126930E-14 Laplacian 0.2869430E+00 (-1/4)Del**2(Rho)) -0.7173576E-01 Diamond 0.2348726E+00 Metallicity 0.2944523E+01 Ellipticity 0.8827248E-02 Gb(Abramov) 0.8302844E-01 Vb(Abramov) -0.9432112E-01 Hb(Abramov) -0.1129268E-01 Ex_ueg -0.2183784E-01 Ec_ueg -0.3622603E-02 Delta_ex -0.2583511E-01 Delta_ec 0.8487978E-02 Delta_et -0.9789426E-01 Pxc 0.6028218E+01 Qxc -0.3043730E+01 3,-1 136 3 -1 1.717911 -0.940966 -1.594198 Rho 0.4738438E-01 |GRAD(Rho)| 0.6720951E-16 GRAD(Rho)x 0.5209803E-16 GRAD(Rho)y -0.4215132E-16 GRAD(Rho)z -0.5116608E-17 Laplacian 0.1888333E+00 (-1/4)Del**2(Rho)) -0.4720832E-01 Diamond 0.9062617E-01 Metallicity 0.2264262E+01 Ellipticity 0.1852876E-01 Gb(Abramov) 0.4928754E-01 Vb(Abramov) -0.5136676E-01 Hb(Abramov) -0.2079224E-02 Ex_ueg -0.1266384E-01 Ec_ueg -0.2270810E-02 Delta_ex -0.1541101E-01 Delta_ec 0.5764656E-02 Delta_et -0.5996937E-01 Pxc 0.5576792E+01 Qxc -0.2673361E+01 3,-1 137 3 +1 1.682782 -0.722408 0.000000 Rho 0.8953705E-02 |GRAD(Rho)| 0.5752157E-17 GRAD(Rho)x -0.3663923E-17 GRAD(Rho)y 0.4284949E-17 GRAD(Rho)z -0.1141137E-17 Laplacian 0.3421438E-01 (-1/4)Del**2(Rho)) -0.8553595E-02 Diamond 0.8809593E-03 Metallicity 0.7775753E+00 Ellipticity -0.1385224E+01 Gb(Abramov) 0.6810908E-02 Vb(Abramov) -0.5068220E-02 Hb(Abramov) 0.1742688E-02 Ex_ueg -0.1373163E-02 Ec_ueg -0.3208335E-03 Delta_ex -0.1542221E-02 Delta_ec 0.4155977E-03 Delta_et -0.2922964E-02 Pxc 0.4279987E+01 Qxc -0.3710851E+01 3,+1 138 3 -1 1.717911 -0.940966 1.594198 Rho 0.4738438E-01 |GRAD(Rho)| 0.1321898E-15 GRAD(Rho)x 0.1197603E-15 GRAD(Rho)y -0.5036288E-16 GRAD(Rho)z 0.2439667E-16 Laplacian 0.1888333E+00 (-1/4)Del**2(Rho)) -0.4720832E-01 Diamond 0.9062617E-01 Metallicity 0.2264262E+01 Ellipticity 0.1852876E-01 Gb(Abramov) 0.4928754E-01 Vb(Abramov) -0.5136676E-01 Hb(Abramov) -0.2079224E-02 Ex_ueg -0.1266384E-01 Ec_ueg -0.2270810E-02 Delta_ex -0.1541101E-01 Delta_ec 0.5764656E-02 Delta_et -0.5996937E-01 Pxc 0.5576792E+01 Qxc -0.2673361E+01 3,-1 139 3 -1 2.001509 -1.544253 2.723039 Rho 0.1162043E+00 |GRAD(Rho)| 0.1015369E-13 GRAD(Rho)x -0.8673136E-14 GRAD(Rho)y 0.5173698E-14 GRAD(Rho)z 0.1052171E-14 Laplacian 0.4360171E+00 (-1/4)Del**2(Rho)) -0.1090043E+00 Diamond 0.6551578E+00 Metallicity 0.4373342E+01 Ellipticity 0.3539551E-01 Gb(Abramov) 0.1521217E+00 Vb(Abramov) -0.1952391E+00 Hb(Abramov) -0.4311740E-01 Ex_ueg -0.4188078E-01 Ec_ueg -0.6316701E-02 Delta_ex -0.4409325E-01 Delta_ec 0.1188614E-01 Delta_et -0.1521056E+00 Pxc 0.6630167E+01 Qxc -0.3709636E+01 3,-1 140 3 -1 2.001509 -1.544253 -2.723039 Rho 0.1162043E+00 |GRAD(Rho)| 0.6280319E-13 GRAD(Rho)x 0.3357570E-13 GRAD(Rho)y -0.2577153E-13 GRAD(Rho)z 0.4639764E-13 Laplacian 0.4360171E+00 (-1/4)Del**2(Rho)) -0.1090043E+00 Diamond 0.6551578E+00 Metallicity 0.4373342E+01 Ellipticity 0.3539551E-01 Gb(Abramov) 0.1521217E+00 Vb(Abramov) -0.1952391E+00 Hb(Abramov) -0.4311740E-01 Ex_ueg -0.4188078E-01 Ec_ueg -0.6316701E-02 Delta_ex -0.4409325E-01 Delta_ec 0.1188614E-01 Delta_et -0.1521056E+00 Pxc 0.6630167E+01 Qxc -0.3709636E+01 3,-1 141 3 +1 2.219430 -0.240725 -1.774622 Rho 0.2418775E-01 |GRAD(Rho)| 0.1008423E-16 GRAD(Rho)x 0.9190530E-17 GRAD(Rho)y -0.1266822E-17 GRAD(Rho)z -0.3952335E-17 Laplacian 0.9154328E-01 (-1/4)Del**2(Rho)) -0.2288582E-01 Diamond 0.1085125E-01 Metallicity 0.1522811E+01 Ellipticity -0.3006290E+01 Gb(Abramov) 0.2106567E-01 Vb(Abramov) -0.1924553E-01 Hb(Abramov) 0.1820145E-02 Ex_ueg -0.5166294E-02 Ec_ueg -0.1047906E-02 Delta_ex -0.5576642E-02 Delta_ec 0.1433974E-02 Delta_et -0.1258628E-01 Pxc 0.4930110E+01 Qxc -0.3888942E+01 3,+1 142 3 +1 2.219430 -0.240725 1.774622 Rho 0.2418775E-01 |GRAD(Rho)| 0.3983251E-16 GRAD(Rho)x 0.3010412E-16 GRAD(Rho)y 0.2382501E-16 GRAD(Rho)z 0.1061791E-16 Laplacian 0.9154328E-01 (-1/4)Del**2(Rho)) -0.2288582E-01 Diamond 0.1085125E-01 Metallicity 0.1522811E+01 Ellipticity -0.3006290E+01 Gb(Abramov) 0.2106567E-01 Vb(Abramov) -0.1924553E-01 Hb(Abramov) 0.1820145E-02 Ex_ueg -0.5166294E-02 Ec_ueg -0.1047906E-02 Delta_ex -0.5576642E-02 Delta_ec 0.1433974E-02 Delta_et -0.1258628E-01 Pxc 0.4930110E+01 Qxc -0.3888942E+01 3,+1 143 3 -1 2.784250 -1.674585 -0.870943 Rho 0.1291713E+00 |GRAD(Rho)| 0.3545920E-15 GRAD(Rho)x 0.7671408E-16 GRAD(Rho)y 0.5535191E-16 GRAD(Rho)z 0.3417405E-15 Laplacian 0.5171153E+00 (-1/4)Del**2(Rho)) -0.1292788E+00 Diamond 0.8705694E+00 Metallicity 0.4398477E+01 Ellipticity 0.9490914E-02 Gb(Abramov) 0.1809576E+00 Vb(Abramov) -0.2326363E+00 Hb(Abramov) -0.5167872E-01 Ex_ueg -0.4822509E-01 Ec_ueg -0.7123829E-02 Delta_ex -0.5348734E-01 Delta_ec 0.1349578E-01 Delta_et -0.1754293E+00 Pxc 0.6769546E+01 Qxc -0.3963264E+01 3,-1 144 3 -1 2.784250 -1.674585 0.870943 Rho 0.1291713E+00 |GRAD(Rho)| 0.1546876E-12 GRAD(Rho)x 0.1034850E-12 GRAD(Rho)y 0.1142724E-12 GRAD(Rho)z 0.1268557E-13 Laplacian 0.5171153E+00 (-1/4)Del**2(Rho)) -0.1292788E+00 Diamond 0.8705694E+00 Metallicity 0.4398477E+01 Ellipticity 0.9490914E-02 Gb(Abramov) 0.1809576E+00 Vb(Abramov) -0.2326363E+00 Hb(Abramov) -0.5167872E-01 Ex_ueg -0.4822509E-01 Ec_ueg -0.7123829E-02 Delta_ex -0.5348734E-01 Delta_ec 0.1349578E-01 Delta_et -0.1754293E+00 Pxc 0.6769546E+01 Qxc -0.3963264E+01 3,-1 145 3 -1 3.264121 -2.270710 2.212718 Rho 0.2170355E+00 |GRAD(Rho)| 0.3429017E-15 GRAD(Rho)x -0.1959153E-15 GRAD(Rho)y 0.2644911E-15 GRAD(Rho)z 0.9614163E-16 Laplacian 0.7981990E+00 (-1/4)Del**2(Rho)) -0.1995498E+00 Diamond 0.2507099E+01 Metallicity 0.6766853E+01 Ellipticity 0.1776348E-01 Gb(Abramov) 0.3580871E+00 Vb(Abramov) -0.5166245E+00 Hb(Abramov) -0.1585374E+00 Ex_ueg -0.9632955E-01 Ec_ueg -0.1286611E-01 Delta_ex -0.9398815E-01 Delta_ec 0.1821785E-01 Delta_et -0.2514015E+00 Pxc 0.7487076E+01 Qxc -0.5159126E+01 3,-1 146 3 -1 3.264121 -2.270710 -2.212718 Rho 0.2170355E+00 |GRAD(Rho)| 0.2955338E-10 GRAD(Rho)x -0.2354774E-10 GRAD(Rho)y 0.1375093E-10 GRAD(Rho)z 0.1139376E-10 Laplacian 0.7981990E+00 (-1/4)Del**2(Rho)) -0.1995498E+00 Diamond 0.2507099E+01 Metallicity 0.6766853E+01 Ellipticity 0.1776348E-01 Gb(Abramov) 0.3580871E+00 Vb(Abramov) -0.5166245E+00 Hb(Abramov) -0.1585374E+00 Ex_ueg -0.9632955E-01 Ec_ueg -0.1286611E-01 Delta_ex -0.9398815E-01 Delta_ec 0.1821785E-01 Delta_et -0.2514015E+00 Pxc 0.7487076E+01 Qxc -0.5159126E+01 3,-1 147 3 +1 1.396884 -0.816721 -2.326515 Rho 0.2903700E-01 |GRAD(Rho)| 0.1543886E-14 GRAD(Rho)x -0.1416241E-14 GRAD(Rho)y -0.5341092E-15 GRAD(Rho)z -0.3042579E-15 Laplacian 0.1139678E+00 (-1/4)Del**2(Rho)) -0.2849194E-01 Diamond 0.1800312E-01 Metallicity 0.1658635E+01 Ellipticity -0.4079750E+01 Gb(Abramov) 0.2687092E-01 Vb(Abramov) -0.2524989E-01 Hb(Abramov) 0.1621026E-02 Ex_ueg -0.6591549E-02 Ec_ueg -0.1294042E-02 Delta_ex -0.7350634E-02 Delta_ec 0.1883775E-02 Delta_et -0.1724643E-01 Pxc 0.5093765E+01 Qxc -0.3902077E+01 3,+1 148 3 +3 -1.914109 2.786233 -0.000000 Rho 0.1198399E-01 |GRAD(Rho)| 0.9965990E-14 GRAD(Rho)x 0.5473042E-14 GRAD(Rho)y -0.8328672E-14 GRAD(Rho)z 0.1641209E-17 Laplacian 0.5427458E-01 (-1/4)Del**2(Rho)) -0.1356865E-01 Diamond 0.1317471E-02 Metallicity 0.7968051E+00 Ellipticity -0.8414224E+00 Gb(Abramov) 0.1084769E-01 Vb(Abramov) -0.8126737E-02 Hb(Abramov) 0.2720954E-02 Ex_ueg -0.2025443E-02 Ec_ueg -0.4588297E-03 Delta_ex -0.2419860E-02 Delta_ec 0.2634238E-03 Delta_et -0.2313778E-02 Pxc 0.4414368E+01 Qxc -0.9186187E+01 3,+3 149 3 +3 -2.393305 -0.128136 -0.000000 Rho 0.5071380E-02 |GRAD(Rho)| 0.1335193E-14 GRAD(Rho)x 0.1077716E-14 GRAD(Rho)y 0.7881973E-15 GRAD(Rho)z 0.3642499E-17 Laplacian 0.2008540E-01 (-1/4)Del**2(Rho)) -0.5021350E-02 Diamond 0.2102073E-03 Metallicity 0.5135818E+00 Ellipticity -0.8608339E+00 Gb(Abramov) 0.3777379E-02 Vb(Abramov) -0.2533408E-02 Hb(Abramov) 0.1243971E-02 Ex_ueg -0.6435069E-03 Ec_ueg -0.1499859E-03 Delta_ex -0.7578995E-03 Delta_ec 0.1977905E-03 Delta_et -0.1254214E-02 Pxc 0.4290451E+01 Qxc -0.3831831E+01 3,+3 150 3 +1 1.396884 -0.816721 2.326515 Rho 0.2903700E-01 |GRAD(Rho)| 0.4595591E-15 GRAD(Rho)x 0.3170155E-15 GRAD(Rho)y -0.3280776E-15 GRAD(Rho)z -0.5532515E-16 Laplacian 0.1139678E+00 (-1/4)Del**2(Rho)) -0.2849194E-01 Diamond 0.1800312E-01 Metallicity 0.1658635E+01 Ellipticity -0.4079750E+01 Gb(Abramov) 0.2687092E-01 Vb(Abramov) -0.2524989E-01 Hb(Abramov) 0.1621026E-02 Ex_ueg -0.6591549E-02 Ec_ueg -0.1294042E-02 Delta_ex -0.7350633E-02 Delta_ec 0.1883775E-02 Delta_et -0.1724643E-01 Pxc 0.5093765E+01 Qxc -0.3902077E+01 3,+1 151 3 -1 0.879786 -0.687158 -3.526777 Rho 0.1364181E+00 |GRAD(Rho)| 0.7678247E-12 GRAD(Rho)x 0.5872358E-12 GRAD(Rho)y -0.4943126E-12 GRAD(Rho)z 0.1907920E-13 Laplacian 0.5310884E+00 (-1/4)Del**2(Rho)) -0.1327721E+00 Diamond 0.9500159E+00 Metallicity 0.4690647E+01 Ellipticity 0.7629526E-01 Gb(Abramov) 0.1923126E+00 Vb(Abramov) -0.2518531E+00 Hb(Abramov) -0.5954049E-01 Ex_ueg -0.5186578E-01 Ec_ueg -0.7579828E-02 Delta_ex -0.5561081E-01 Delta_ec 0.1358480E-01 Delta_et -0.1779182E+00 Pxc 0.6842606E+01 Qxc -0.4093606E+01 3,-1 152 3 -1 0.879786 -0.687158 3.526777 Rho 0.1364181E+00 |GRAD(Rho)| 0.7388956E-12 GRAD(Rho)x 0.5426320E-12 GRAD(Rho)y -0.5005774E-12 GRAD(Rho)z -0.3065300E-13 Laplacian 0.5310884E+00 (-1/4)Del**2(Rho)) -0.1327721E+00 Diamond 0.9500159E+00 Metallicity 0.4690647E+01 Ellipticity 0.7629526E-01 Gb(Abramov) 0.1923126E+00 Vb(Abramov) -0.2518531E+00 Hb(Abramov) -0.5954049E-01 Ex_ueg -0.5186578E-01 Ec_ueg -0.7579828E-02 Delta_ex -0.5561081E-01 Delta_ec 0.1358480E-01 Delta_et -0.1779182E+00 Pxc 0.6842606E+01 Qxc -0.4093606E+01 3,-1 153 3 -1 -3.247745 -2.178986 -2.294038 Rho 0.2164994E+00 |GRAD(Rho)| 0.7391364E-15 GRAD(Rho)x -0.4721158E-15 GRAD(Rho)y -0.1380596E-15 GRAD(Rho)z -0.5516963E-15 Laplacian 0.8046360E+00 (-1/4)Del**2(Rho)) -0.2011590E+00 Diamond 0.2513714E+01 Metallicity 0.6685105E+01 Ellipticity 0.1846815E-01 Gb(Abramov) 0.3582341E+00 Vb(Abramov) -0.5153093E+00 Hb(Abramov) -0.1570752E+00 Ex_ueg -0.9601240E-01 Ec_ueg -0.1282973E-01 Delta_ex -0.9464844E-01 Delta_ec 0.1831113E-01 Delta_et -0.2523942E+00 Pxc 0.7483585E+01 Qxc -0.5168902E+01 3,-1 154 3 -1 -3.247745 -2.178986 2.294038 Rho 0.2164994E+00 |GRAD(Rho)| 0.9211086E-15 GRAD(Rho)x -0.6384867E-15 GRAD(Rho)y -0.1347663E-15 GRAD(Rho)z 0.6500876E-15 Laplacian 0.8046360E+00 (-1/4)Del**2(Rho)) -0.2011590E+00 Diamond 0.2513714E+01 Metallicity 0.6685105E+01 Ellipticity 0.1846815E-01 Gb(Abramov) 0.3582341E+00 Vb(Abramov) -0.5153093E+00 Hb(Abramov) -0.1570752E+00 Ex_ueg -0.9601240E-01 Ec_ueg -0.1282973E-01 Delta_ex -0.9464844E-01 Delta_ec 0.1831113E-01 Delta_et -0.2523942E+00 Pxc 0.7483585E+01 Qxc -0.5168902E+01 3,-1 155 3 +1 -3.015143 -0.440914 0.000000 Rho 0.5295367E-02 |GRAD(Rho)| 0.9110303E-17 GRAD(Rho)x 0.8121868E-18 GRAD(Rho)y 0.4681573E-17 GRAD(Rho)z 0.7773085E-17 Laplacian 0.2145958E-01 (-1/4)Del**2(Rho)) -0.5364895E-02 Diamond 0.3354320E-03 Metallicity 0.5165973E+00 Ellipticity -0.1303218E+01 Gb(Abramov) 0.4038512E-02 Vb(Abramov) -0.2712128E-02 Hb(Abramov) 0.1326383E-02 Ex_ueg -0.6816789E-03 Ec_ueg -0.1596457E-03 Delta_ex -0.9024162E-03 Delta_ec 0.3606843E-03 Delta_et -0.2119374E-02 Pxc 0.4269948E+01 Qxc -0.2501956E+01 3,+1 156 3 -1 0.553989 -0.046721 -2.428271 Rho 0.4975625E-01 |GRAD(Rho)| 0.9822932E-14 GRAD(Rho)x 0.7234323E-14 GRAD(Rho)y -0.6554971E-14 GRAD(Rho)z -0.1089458E-14 Laplacian 0.2034997E+00 (-1/4)Del**2(Rho)) -0.5087492E-01 Diamond 0.1034594E+00 Metallicity 0.2279268E+01 Ellipticity 0.1332206E-01 Gb(Abramov) 0.5324288E-01 Vb(Abramov) -0.5561084E-01 Hb(Abramov) -0.2367958E-02 Ex_ueg -0.1351601E-01 Ec_ueg -0.2401405E-02 Delta_ex -0.1677261E-01 Delta_ec 0.6139834E-02 Delta_et -0.6468208E-01 Pxc 0.5628377E+01 Qxc -0.2731769E+01 3,-1 157 3 -1 0.553989 -0.046721 2.428271 Rho 0.4975625E-01 |GRAD(Rho)| 0.1000010E-13 GRAD(Rho)x 0.7200348E-14 GRAD(Rho)y -0.6939418E-14 GRAD(Rho)z 0.3774845E-16 Laplacian 0.2034997E+00 (-1/4)Del**2(Rho)) -0.5087492E-01 Diamond 0.1034594E+00 Metallicity 0.2279268E+01 Ellipticity 0.1332206E-01 Gb(Abramov) 0.5324288E-01 Vb(Abramov) -0.5561084E-01 Hb(Abramov) -0.2367958E-02 Ex_ueg -0.1351601E-01 Ec_ueg -0.2401405E-02 Delta_ex -0.1677261E-01 Delta_ec 0.6139834E-02 Delta_et -0.6468208E-01 Pxc 0.5628377E+01 Qxc -0.2731769E+01 3,-1 158 3 -1 -3.005236 -2.148219 -0.801047 Rho 0.1283192E+00 |GRAD(Rho)| 0.3479704E-15 GRAD(Rho)x 0.1041851E-15 GRAD(Rho)y 0.7295876E-16 GRAD(Rho)z -0.3238918E-15 Laplacian 0.4763691E+00 (-1/4)Del**2(Rho)) -0.1190923E+00 Diamond 0.8072212E+00 Metallicity 0.4722321E+01 Ellipticity 0.5268170E-01 Gb(Abramov) 0.1731269E+00 Vb(Abramov) -0.2271614E+00 Hb(Abramov) -0.5403456E-01 Ex_ueg -0.4780138E-01 Ec_ueg -0.7070438E-02 Delta_ex -0.4933651E-01 Delta_ec 0.1270615E-01 Delta_et -0.1654558E+00 Pxc 0.6760738E+01 Qxc -0.3882886E+01 3,-1 159 3 -1 -3.005236 -2.148219 0.801047 Rho 0.1283192E+00 |GRAD(Rho)| 0.2191284E-15 GRAD(Rho)x 0.9162186E-16 GRAD(Rho)y 0.6892561E-16 GRAD(Rho)z 0.1867403E-15 Laplacian 0.4763691E+00 (-1/4)Del**2(Rho)) -0.1190923E+00 Diamond 0.8072212E+00 Metallicity 0.4722321E+01 Ellipticity 0.5268170E-01 Gb(Abramov) 0.1731269E+00 Vb(Abramov) -0.2271614E+00 Hb(Abramov) -0.5403456E-01 Ex_ueg -0.4780138E-01 Ec_ueg -0.7070438E-02 Delta_ex -0.4933651E-01 Delta_ec 0.1270615E-01 Delta_et -0.1654558E+00 Pxc 0.6760738E+01 Qxc -0.3882886E+01 3,-1 160 3 -1 -2.163339 -2.967999 1.714259 Rho 0.2203244E+00 |GRAD(Rho)| 0.3508024E-12 GRAD(Rho)x -0.3389877E-12 GRAD(Rho)y -0.6270196E-13 GRAD(Rho)z -0.6494693E-13 Laplacian 0.8315376E+00 (-1/4)Del**2(Rho)) -0.2078844E+00 Diamond 0.2635850E+01 Metallicity 0.6660430E+01 Ellipticity 0.9797427E-02 Gb(Abramov) 0.3693562E+00 Vb(Abramov) -0.5308280E+00 Hb(Abramov) -0.1614718E+00 Ex_ueg -0.9828076E-01 Ec_ueg -0.1308961E-01 Delta_ex -0.9815375E-01 Delta_ec 0.1864613E-01 Delta_et -0.2565490E+00 Pxc 0.7508304E+01 Qxc -0.5264028E+01 3,-1 161 3 -1 -0.838646 3.563093 -0.713508 Rho 0.1501539E+00 |GRAD(Rho)| 0.3196563E-15 GRAD(Rho)x 0.2383212E-15 GRAD(Rho)y -0.8022080E-16 GRAD(Rho)z 0.1973519E-15 Laplacian 0.5789144E+00 (-1/4)Del**2(Rho)) -0.1447286E+00 Diamond 0.1165895E+01 Metallicity 0.5049247E+01 Ellipticity 0.5846863E-01 Gb(Abramov) 0.2182808E+00 Vb(Abramov) -0.2918330E+00 Hb(Abramov) -0.7355221E-01 Ex_ueg -0.5894324E-01 Ec_ueg -0.8453368E-02 Delta_ex -0.6209888E-01 Delta_ec 0.1452976E-01 Delta_et -0.1930896E+00 Pxc 0.6972752E+01 Qxc -0.4273909E+01 3,-1 162 3 -1 -0.838646 3.563093 0.713508 Rho 0.1501539E+00 |GRAD(Rho)| 0.4837258E-14 GRAD(Rho)x 0.3521394E-14 GRAD(Rho)y 0.8335804E-15 GRAD(Rho)z -0.3209984E-14 Laplacian 0.5789144E+00 (-1/4)Del**2(Rho)) -0.1447286E+00 Diamond 0.1165895E+01 Metallicity 0.5049247E+01 Ellipticity 0.5846863E-01 Gb(Abramov) 0.2182808E+00 Vb(Abramov) -0.2918330E+00 Hb(Abramov) -0.7355221E-01 Ex_ueg -0.5894324E-01 Ec_ueg -0.8453368E-02 Delta_ex -0.6209888E-01 Delta_ec 0.1452976E-01 Delta_et -0.1930896E+00 Pxc 0.6972752E+01 Qxc -0.4273909E+01 3,-1 163 3 -1 0.849231 0.728428 -3.513256 Rho 0.1376304E+00 |GRAD(Rho)| 0.1502248E-13 GRAD(Rho)x -0.1286363E-13 GRAD(Rho)y -0.7008554E-14 GRAD(Rho)z -0.3328989E-14 Laplacian 0.5329114E+00 (-1/4)Del**2(Rho)) -0.1332279E+00 Diamond 0.9650940E+00 Metallicity 0.4744043E+01 Ellipticity 0.6405000E-01 Gb(Abramov) 0.1941584E+00 Vb(Abramov) -0.2550888E+00 Hb(Abramov) -0.6093050E-01 Ex_ueg -0.5248124E-01 Ec_ueg -0.7656445E-02 Delta_ex -0.5594032E-01 Delta_ec 0.1363458E-01 Delta_et -0.1788755E+00 Pxc 0.6854518E+01 Qxc -0.4102828E+01 3,-1 164 3 -1 0.849231 0.728428 3.513256 Rho 0.1376304E+00 |GRAD(Rho)| 0.3120455E-13 GRAD(Rho)x -0.2228471E-13 GRAD(Rho)y -0.1406549E-13 GRAD(Rho)z 0.1671161E-13 Laplacian 0.5329114E+00 (-1/4)Del**2(Rho)) -0.1332279E+00 Diamond 0.9650940E+00 Metallicity 0.4744043E+01 Ellipticity 0.6405000E-01 Gb(Abramov) 0.1941584E+00 Vb(Abramov) -0.2550888E+00 Hb(Abramov) -0.6093050E-01 Ex_ueg -0.5248124E-01 Ec_ueg -0.7656445E-02 Delta_ex -0.5594032E-01 Delta_ec 0.1363458E-01 Delta_et -0.1788755E+00 Pxc 0.6854518E+01 Qxc -0.4102828E+01 3,-1 165 3 -1 1.918498 -2.519800 1.656415 Rho 0.2234456E+00 |GRAD(Rho)| 0.2180612E-13 GRAD(Rho)x 0.1520534E-13 GRAD(Rho)y -0.5248081E-14 GRAD(Rho)z 0.1472284E-13 Laplacian 0.8506862E+00 (-1/4)Del**2(Rho)) -0.2126716E+00 Diamond 0.2741315E+01 Metallicity 0.6664949E+01 Ellipticity 0.1478220E-01 Gb(Abramov) 0.3780219E+00 Vb(Abramov) -0.5433723E+00 Hb(Abramov) -0.1653503E+00 Ex_ueg -0.1001415E+00 Ec_ueg -0.1330227E-01 Delta_ex -0.1007736E+00 Delta_ec 0.1898543E-01 Delta_et -0.2613492E+00 Pxc 0.7528154E+01 Qxc -0.5307943E+01 3,-1 166 3 -1 2.842916 1.726380 -0.888525 Rho 0.1287081E+00 |GRAD(Rho)| 0.2165929E-15 GRAD(Rho)x 0.2313755E-16 GRAD(Rho)y -0.2739305E-17 GRAD(Rho)z 0.2153361E-15 Laplacian 0.5293418E+00 (-1/4)Del**2(Rho)) -0.1323355E+00 Diamond 0.8814992E+00 Metallicity 0.4271235E+01 Ellipticity 0.2053218E-01 Gb(Abramov) 0.1824296E+00 Vb(Abramov) -0.2325238E+00 Hb(Abramov) -0.5009416E-01 Ex_ueg -0.4799466E-01 Ec_ueg -0.7094802E-02 Delta_ex -0.5463350E-01 Delta_ec 0.1369990E-01 Delta_et -0.1777444E+00 Pxc 0.6764764E+01 Qxc -0.3987876E+01 3,-1 167 3 -1 2.842916 1.726380 0.888525 Rho 0.1287081E+00 |GRAD(Rho)| 0.2603469E-15 GRAD(Rho)x 0.2779285E-16 GRAD(Rho)y -0.1752511E-17 GRAD(Rho)z -0.2588533E-15 Laplacian 0.5293418E+00 (-1/4)Del**2(Rho)) -0.1323355E+00 Diamond 0.8814992E+00 Metallicity 0.4271235E+01 Ellipticity 0.2053218E-01 Gb(Abramov) 0.1824296E+00 Vb(Abramov) -0.2325238E+00 Hb(Abramov) -0.5009416E-01 Ex_ueg -0.4799466E-01 Ec_ueg -0.7094802E-02 Delta_ex -0.5463350E-01 Delta_ec 0.1369990E-01 Delta_et -0.1777444E+00 Pxc 0.6764764E+01 Qxc -0.3987876E+01 3,-1 168 3 -1 3.201542 2.370178 -2.234832 Rho 0.2233872E+00 |GRAD(Rho)| 0.1130100E-15 GRAD(Rho)x -0.8109832E-16 GRAD(Rho)y 0.4765069E-16 GRAD(Rho)z -0.6263978E-16 Laplacian 0.8009147E+00 (-1/4)Del**2(Rho)) -0.2002287E+00 Diamond 0.2615606E+01 Metallicity 0.7076046E+01 Ellipticity 0.8147712E-02 Gb(Abramov) 0.3696237E+00 Vb(Abramov) -0.5390186E+00 Hb(Abramov) -0.1693950E+00 Ex_ueg -0.1001066E+00 Ec_ueg -0.1329828E-01 Delta_ex -0.9507899E-01 Delta_ec 0.1824713E-01 Delta_et -0.2526935E+00 Pxc 0.7527785E+01 Qxc -0.5210627E+01 3,-1 169 3 -1 -0.594312 -0.796957 0.000000 Rho 0.1941204E+00 |GRAD(Rho)| 0.2319417E-13 GRAD(Rho)x -0.7079562E-14 GRAD(Rho)y 0.2208730E-13 GRAD(Rho)z -0.2584407E-16 Laplacian 0.8003395E+00 (-1/4)Del**2(Rho)) -0.2000849E+00 Diamond 0.2572200E+01 Metallicity 0.5603476E+01 Ellipticity 0.5211970E-01 Gb(Abramov) 0.3202517E+00 Vb(Abramov) -0.4404185E+00 Hb(Abramov) -0.1201668E+00 Ex_ueg -0.8301309E-01 Ec_ueg -0.1132552E-01 Delta_ex -0.9422496E-01 Delta_ec 0.2355539E-01 Delta_et -0.3381021E+00 Pxc 0.7329739E+01 Qxc -0.4000144E+01 3,-1 170 3 -1 1.918498 -2.519800 -1.656415 Rho 0.2234456E+00 |GRAD(Rho)| 0.2973620E-13 GRAD(Rho)x -0.2700032E-13 GRAD(Rho)y -0.8949438E-14 GRAD(Rho)z 0.8667858E-14 Laplacian 0.8506862E+00 (-1/4)Del**2(Rho)) -0.2126716E+00 Diamond 0.2741315E+01 Metallicity 0.6664950E+01 Ellipticity 0.1478220E-01 Gb(Abramov) 0.3780219E+00 Vb(Abramov) -0.5433723E+00 Hb(Abramov) -0.1653503E+00 Ex_ueg -0.1001415E+00 Ec_ueg -0.1330227E-01 Delta_ex -0.1007736E+00 Delta_ec 0.1898543E-01 Delta_et -0.2613492E+00 Pxc 0.7528154E+01 Qxc -0.5307943E+01 3,-1 171 3 +1 -2.260026 -1.851200 0.000000 Rho 0.3164962E-01 |GRAD(Rho)| 0.4992402E-15 GRAD(Rho)x -0.4146448E-15 GRAD(Rho)y -0.2756288E-15 GRAD(Rho)z 0.3659540E-16 Laplacian 0.1312569E+00 (-1/4)Del**2(Rho)) -0.3281423E-01 Diamond 0.2646462E-01 Metallicity 0.1662538E+01 Ellipticity -0.9908923E+02 Gb(Abramov) 0.3096864E-01 Vb(Abramov) -0.2912305E-01 Hb(Abramov) 0.1845590E-02 Ex_ueg -0.7393947E-02 Ec_ueg -0.1429006E-02 Delta_ex -0.8912921E-02 Delta_ec 0.2610448E-02 Delta_et -0.2436611E-01 Pxc 0.5174188E+01 Qxc -0.3414326E+01 3,+1 172 3 -1 0.470393 -0.102554 -0.705706 Rho 0.1872896E+00 |GRAD(Rho)| 0.8034131E-16 GRAD(Rho)x 0.4571797E-16 GRAD(Rho)y 0.5095785E-17 GRAD(Rho)z -0.6586825E-16 Laplacian 0.7653711E+00 (-1/4)Del**2(Rho)) -0.1913428E+00 Diamond 0.2384745E+01 Metallicity 0.5519892E+01 Ellipticity 0.1332597E-01 Gb(Abramov) 0.3035937E+00 Vb(Abramov) -0.4158447E+00 Hb(Abramov) -0.1122510E+00 Ex_ueg -0.7914132E-01 Ec_ueg -0.1087197E-01 Delta_ex -0.8953857E-01 Delta_ec 0.2310001E-01 Delta_et -0.3307149E+00 Pxc 0.7279392E+01 Qxc -0.3876127E+01 3,-1 173 3 -1 0.470393 -0.102554 0.705706 Rho 0.1872896E+00 |GRAD(Rho)| 0.1312771E-14 GRAD(Rho)x 0.9531501E-15 GRAD(Rho)y -0.3949184E-15 GRAD(Rho)z 0.8117337E-15 Laplacian 0.7653711E+00 (-1/4)Del**2(Rho)) -0.1913428E+00 Diamond 0.2384745E+01 Metallicity 0.5519892E+01 Ellipticity 0.1332597E-01 Gb(Abramov) 0.3035937E+00 Vb(Abramov) -0.4158447E+00 Hb(Abramov) -0.1122510E+00 Ex_ueg -0.7914132E-01 Ec_ueg -0.1087197E-01 Delta_ex -0.8953857E-01 Delta_ec 0.2310001E-01 Delta_et -0.3307149E+00 Pxc 0.7279392E+01 Qxc -0.3876127E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 157 132 85 164 152 89 173 169 172 91 156 88 93 151 163 87 114 118 117 162 161 119 138 144 165 135 139 145 99 166 121 108 102 168 62 54 61 110 66 112 77 79 78 159 160 154 76 74 75 158 126 153 64 57 65 111 67 113 101 167 122 109 105 107 136 143 170 134 140 146 106 120 71 83 81 72 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 18 21 21 22 25 28 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 20 28 36 24 27 37 2.350806 1.948588 1.953532 1.935999 1.940099 1.742101 1.721780 1.707458 1.721780 1.722950 2.350806 1.953532 1.948588 1.940099 1.935999 1.742101 2.439049 1.961625 1.961625 1.902114 1.902114 1.747415 2.370841 1.952013 1.744327 2.206290 2.007518 1.755412 2.510291 1.951115 1.950138 1.847563 1.997387 1.744259 2.393947 1.804007 1.949841 1.969282 2.065499 1.750210 2.315135 2.274573 1.966531 1.967119 1.748923 1.756262 2.315135 2.274573 1.966531 1.967119 1.748923 1.756262 2.393947 1.804007 1.949841 1.969282 2.065499 1.750210 2.510291 1.951115 1.950138 1.847563 1.997387 1.744259 2.370841 1.952013 1.744327 2.206290 2.007518 1.755412 3.242565 2.971236 3.320536 3.184291 3.184291 3.320536 2.351189 1.949270 1.954104 1.936661 1.940782 1.742127 1.721802 1.707539 1.721804 1.722971 2.351190 1.954092 1.949264 1.940784 1.936663 1.742126 2.439275 1.962229 1.962252 1.902671 1.902672 1.747440 2.371354 1.952628 1.744393 2.206980 2.008220 1.755446 2.510523 1.951702 1.950869 1.848089 1.998087 1.744278 2.394225 1.804402 1.950340 1.969926 2.066217 1.750237 2.315739 2.275031 1.967126 1.967843 1.748947 1.756283 2.315738 2.275032 1.967126 1.967847 1.748949 1.756283 2.394225 1.804404 1.950340 1.969925 2.066216 1.750236 2.510522 1.951702 1.950868 1.848089 1.998088 1.744279 2.371355 1.952629 1.744387 2.206919 2.008217 1.755445 3.244673 2.977912 3.323401 3.186767 3.186767 3.323401 27 24 28 23 23 21 21 22 21 21 27 23 23 23 23 21 27 23 25 23 23 23 27 23 22 26 25 23 29 23 28 22 26 21 27 22 24 23 25 22 27 27 25 23 22 20 27 27 25 25 22 20 27 22 25 23 25 23 29 23 28 22 27 21 27 23 21 25 24 22 35 33 35 35 35 35 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 Mo V Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 2.3161 1.9608 2.3161 2.3085 2.2284 2.2747 2.3164 2.2518 2.2518 2.3164 2.2747 2.2284 -1.1226 -1.0234 -1.1226 -1.1086 -0.8516 -0.9491 -0.8516 -0.9167 -0.7067 -0.9122 -0.9279 -0.9147 -0.9147 -0.9279 -0.9122 -0.7067 -0.8940 -0.9501 -0.8940 -0.9341 -0.9167 -0.9281 -0.9212 -0.7443 -0.7443 -0.9212 -0.9281 -0.9167 -0.7498 -0.7827 -0.7498 -0.7766 -0.7827 -0.7660 -0.7766 -0.7776 -0.7776 -0.7766 -0.7660 1.9108 2.0143 1.9108 1.9084 1.9491 1.9313 1.9015 1.9644 1.9644 1.9015 1.9313 1.9491 1.9628 1.9716 1.9628 1.9606 1.9588 1.9397 1.9588 1.9372 1.9802 1.9383 1.9382 1.9383 1.9383 1.9382 1.9383 1.9802 1.9526 1.9430 1.9526 1.9456 1.9444 1.9455 1.9463 1.9685 1.9685 1.9463 1.9455 1.9444 1.9693 1.9650 1.9693 1.9656 1.9650 1.9681 1.9659 1.9647 1.9647 1.9659 1.9681 6.0931 6.0479 6.0931 6.0939 6.1112 6.1010 6.0862 6.0892 6.0892 6.0862 6.1010 6.1112 5.1286 5.0230 5.1286 5.1173 4.8648 4.9843 4.8648 4.9544 4.6938 4.9496 4.9661 4.9510 4.9510 4.9661 4.9496 4.6938 4.9154 4.9801 4.9154 4.9617 4.9454 4.9562 4.9490 4.7455 4.7455 4.9490 4.9562 4.9454 4.7492 4.7884 4.7492 4.7806 4.7884 4.7669 4.7808 4.7838 4.7838 4.7808 4.7669 3.6800 2.9770 3.6800 3.6893 3.7113 3.6931 3.6959 3.6945 3.6945 3.6959 3.6931 3.7113 0.0312 0.0287 0.0312 0.0307 0.0280 0.0251 0.0280 0.0252 0.0327 0.0243 0.0236 0.0254 0.0254 0.0236 0.0243 0.0327 0.0261 0.0269 0.0261 0.0269 0.0270 0.0264 0.0259 0.0303 0.0303 0.0259 0.0264 0.0270 0.0313 0.0293 0.0313 0.0304 0.0293 0.0310 0.0300 0.0292 0.0292 0.0300 0.0310 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 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2.351826 -0.838170 -0.789551 -0.838170 -0.836359 -0.903685 -0.923761 -0.903685 -0.929565 -0.779777 -0.920705 -0.915443 -0.915963 -0.915963 -0.915443 -0.920705 -0.779777 -0.967461 -0.955742 -0.967461 -0.965248 -0.961889 -0.966042 -0.981433 -0.810859 -0.810859 -0.981433 -0.966042 -0.961889 -0.804617 -0.854307 -0.804617 -0.840430 -0.854307 -0.823640 -0.836428 -0.854658 -0.854658 -0.836428 -0.823640 2.467908 1.500380 2.467908 2.457087 2.424054 2.453072 2.440892 2.457871 2.457871 2.440892 2.453072 2.424054 -0.855254 -0.816642 -0.855254 -0.854412 -0.946533 -1.017529 -0.946533 -1.023629 -0.786912 -1.010563 -1.032446 -0.996036 -0.996036 -1.032446 -1.010563 -0.786912 -0.987177 -1.011626 -0.987177 -1.024639 -0.994600 -1.023551 -1.016243 -0.797672 -0.797672 -1.016243 -1.023551 -0.994600 -0.762852 -0.820746 -0.762852 -0.804631 -0.820746 -0.783984 -0.789173 -0.842234 -0.842234 -0.789173 -0.783984 1.10505328 -2.09453857 -0.00000000 2.36817114 -22.43241188 -1.44898779 -0.00000000 16.22952182 -0.00000000 6.20289007 -309.4217 408.9233 -141.3631 -343.6318 -58.4037 -443.8971 Mar11-2024 16:56:11 Nodes: 1 Procs: 1 Mar11-2024 16:56:12 Nodes: 1 Procs: 1 0 Mar11-2024 16:56:13 Nodes: 1 Procs: 1 Mar11-2024 16:56:13 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 Mar11-2024 16:56:14 Nodes: 1 Procs: 1 Mar11-2024 16:56:14 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar11-2024 16:56:15 Nodes: 1 Procs: 28 *** (NO TITLE) *** -7 -16.22395317 -16.30923499 -16.31132403 -16.31209397 -16.31281034 -16.31287906 -16.31294180 -16.31296151 -16.31294881 -16.31294484 -16.31289918 -16.31289365 -16.31289381 -16.31291257 -16.31291753 -16.31291981 -16.31291674 GEOMETRY CONVERGED