ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar21-2024 20:37:13 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.03 0.93 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 Mar21-2024 20:37:13 Nodes: 1 Procs: 1 Mar21-2024 20:37:14 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar21-2024 20:37:15 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.58 0.04 0.65 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Mar21-2024 20:37:13 Nodes: 1 Procs: 1 Mar21-2024 20:37:14 Nodes: 1 Procs: 1 0 Mar21-2024 20:37:15 Nodes: 1 Procs: 1 Mar21-2024 20:37:15 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar21-2024 20:37:16 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.04 0.82 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 Mar21-2024 20:37:13 Nodes: 1 Procs: 1 Mar21-2024 20:37:14 Nodes: 1 Procs: 1 0 Mar21-2024 20:37:15 Nodes: 1 Procs: 1 Mar21-2024 20:37:15 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar21-2024 20:37:16 Nodes: 1 Procs: 1 Mar21-2024 20:37:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar21-2024 20:37:17 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 0.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Mar21-2024 20:37:13 Nodes: 1 Procs: 1 Mar21-2024 20:37:14 Nodes: 1 Procs: 1 0 Mar21-2024 20:37:15 Nodes: 1 Procs: 1 Mar21-2024 20:37:15 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar21-2024 20:37:16 Nodes: 1 Procs: 1 Mar21-2024 20:37:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar21-2024 20:37:17 Nodes: 1 Procs: 1 Mar21-2024 20:37:17 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar21-2024 20:37:18 Hydrogen (TZP) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.33 0.04 1.41 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Mar21-2024 20:37:13 Nodes: 1 Procs: 1 Mar21-2024 20:37:14 Nodes: 1 Procs: 1 0 Mar21-2024 20:37:15 Nodes: 1 Procs: 1 Mar21-2024 20:37:15 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar21-2024 20:37:16 Nodes: 1 Procs: 1 Mar21-2024 20:37:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar21-2024 20:37:17 Nodes: 1 Procs: 1 Mar21-2024 20:37:17 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar21-2024 20:37:18 Nodes: 1 Procs: 1 Mar21-2024 20:37:19 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar21-2024 20:37:21 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2141.6133609999983 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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 Mar21-2024 20:37:19 1 1 Tungsten TZP 4d t21.O ADF 2019 Mar21-2024 20:37:17 1 1 Oxygen TZP 1s t21.Mo ADF 2019 Mar21-2024 20:37:16 1 1 Molybdenum TZP 3d t21.P ADF 2019 Mar21-2024 20:37:15 1 1 Phosphorus TZP 1s t21.H ADF 2019 Mar21-2024 20:37:14 1 1 Hydrogen TZP 1 1 -14.71396383 0.79333514 0.00100000 F 0.09357007 0.00066667 F 0.79333514 0.09357007 0.29324548 0.01000000 F 0.04967867 0.00666667 F Cartesian 2141.6133609999983 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2.054613 Rho 0.3189755E+03 3,-3 35 3 -3 0.678570 -4.670557 2.525458 Rho 0.3192461E+03 3,-3 36 3 -3 2.016878 -0.092036 3.390012 Rho 0.3189887E+03 3,-3 37 3 -3 0.139323 -2.084009 -3.444073 Rho 0.3189782E+03 3,-3 38 3 -3 1.369648 3.508927 1.341849 Rho 0.3189361E+03 3,-3 39 3 -3 0.799948 -4.657415 -2.532563 Rho 0.3192772E+03 3,-3 40 3 -3 4.626147 -0.666606 -2.522310 Rho 0.3192742E+03 3,-3 41 3 -3 -0.939442 4.403048 2.791552 Rho 0.3192997E+03 3,-3 42 3 -3 4.621290 -0.727212 2.504585 Rho 0.3192596E+03 3,-3 43 3 -3 -0.132676 -0.089622 -3.598239 Rho 0.1240648E+06 3,-3 44 3 -3 -0.170415 0.003655 0.001017 Rho 0.2439613E+04 3,-3 45 3 -3 -2.106279 1.285212 1.084615 Rho 0.4280228E+00 3,-3 46 3 -3 -2.094357 1.278824 -1.079169 Rho 0.4263329E+00 3,-3 47 3 -3 -1.389816 -3.021074 -0.330008 Rho 0.4288998E+00 3,-3 48 3 -1 -1.935807 0.926756 -2.323137 Rho 0.1049387E-01 |GRAD(Rho)| 0.2795822E-16 GRAD(Rho)x -0.3561974E-17 GRAD(Rho)y 0.2421367E-16 GRAD(Rho)z 0.1351566E-16 Laplacian 0.4261266E-01 (-1/4)Del**2(Rho)) -0.1065317E-01 Diamond 0.3264796E-02 Metallicity 0.8133935E+00 Ellipticity 0.2492794E+00 Gb(Abramov) 0.8546314E-02 Vb(Abramov) -0.6439461E-02 Hb(Abramov) 0.2106853E-02 Ex_ueg -0.1696808E-02 Ec_ueg -0.3904950E-03 Delta_ex -0.2659353E-02 Delta_ec 0.1690735E-02 Delta_et -0.1133408E-01 Pxc 0.4345274E+01 Qxc -0.1572897E+01 3,-1 49 3 +1 -1.244385 -1.743526 0.049051 Rho 0.4097186E-02 |GRAD(Rho)| 0.2070160E-16 GRAD(Rho)x 0.1039934E-16 GRAD(Rho)y 0.1784529E-16 GRAD(Rho)z -0.1398451E-17 Laplacian 0.1575794E-01 (-1/4)Del**2(Rho)) -0.3939484E-02 Diamond 0.2040527E-03 Metallicity 0.4587646E+00 Ellipticity -0.1335858E+01 Gb(Abramov) 0.2927539E-02 Vb(Abramov) -0.1915593E-02 Hb(Abramov) 0.1011945E-02 Ex_ueg -0.4842087E-03 Ec_ueg -0.1082703E-03 Delta_ex -0.6609376E-03 Delta_ec 0.3293722E-03 Delta_et -0.1753329E-02 Pxc 0.4472220E+01 Qxc -0.2006658E+01 3,+1 50 3 +1 -1.738546 0.190089 -1.654706 Rho 0.6583948E-02 |GRAD(Rho)| 0.5054128E-15 GRAD(Rho)x 0.4441238E-15 GRAD(Rho)y -0.1367635E-15 GRAD(Rho)z -0.1987257E-15 Laplacian 0.2505129E-01 (-1/4)Del**2(Rho)) -0.6262823E-02 Diamond 0.7759058E-03 Metallicity 0.6362001E+00 Ellipticity -0.4017689E+01 Gb(Abramov) 0.4839283E-02 Vb(Abramov) -0.3415744E-02 Hb(Abramov) 0.1423540E-02 Ex_ueg -0.9113817E-03 Ec_ueg -0.2157007E-03 Delta_ex -0.1269794E-02 Delta_ec 0.7083239E-03 Delta_et -0.4208472E-02 Pxc 0.4225214E+01 Qxc -0.1792674E+01 3,+1 51 3 +1 -1.067120 1.418727 -0.699701 Rho 0.1275022E-01 |GRAD(Rho)| 0.1085293E-14 GRAD(Rho)x -0.4809385E-15 GRAD(Rho)y -0.9475414E-15 GRAD(Rho)z 0.2207363E-15 Laplacian 0.5449427E-01 (-1/4)Del**2(Rho)) -0.1362357E-01 Diamond 0.2586449E-02 Metallicity 0.8799513E+00 Ellipticity -0.1558998E+01 Gb(Abramov) 0.1108039E-01 Vb(Abramov) -0.8537215E-02 Hb(Abramov) 0.2543177E-02 Ex_ueg -0.2199930E-02 Ec_ueg -0.4943118E-03 Delta_ex -0.2778806E-02 Delta_ec 0.8088850E-03 Delta_et -0.6080223E-02 Pxc 0.4450490E+01 Qxc -0.3435354E+01 3,+1 52 3 +1 -1.077758 1.415890 0.696627 Rho 0.1260177E-01 |GRAD(Rho)| 0.7141611E-14 GRAD(Rho)x -0.1905417E-14 GRAD(Rho)y -0.6384253E-14 GRAD(Rho)z -0.2571634E-14 Laplacian 0.5368245E-01 (-1/4)Del**2(Rho)) -0.1342061E-01 Diamond 0.2491307E-02 Metallicity 0.8759925E+00 Ellipticity -0.1548449E+01 Gb(Abramov) 0.1090647E-01 Vb(Abramov) -0.8392323E-02 Hb(Abramov) 0.2514145E-02 Ex_ueg -0.2165845E-02 Ec_ueg -0.4874198E-03 Delta_ex -0.2724751E-02 Delta_ec 0.7890633E-03 Delta_et -0.5918721E-02 Pxc 0.4443490E+01 Qxc -0.3453146E+01 3,+1 53 3 -1 -1.938011 0.940456 2.330917 Rho 0.9977834E-02 |GRAD(Rho)| 0.1222319E-16 GRAD(Rho)x -0.2473528E-17 GRAD(Rho)y 0.9539024E-17 GRAD(Rho)z -0.7231535E-17 Laplacian 0.4014630E-01 (-1/4)Del**2(Rho)) -0.1003658E-01 Diamond 0.2858183E-02 Metallicity 0.7937700E+00 Ellipticity 0.2388719E+00 Gb(Abramov) 0.8018840E-02 Vb(Abramov) -0.6001103E-02 Hb(Abramov) 0.2017737E-02 Ex_ueg -0.1586476E-02 Ec_ueg -0.3670424E-03 Delta_ex -0.2474866E-02 Delta_ec 0.1582676E-02 Delta_et -0.1045154E-01 Pxc 0.4322322E+01 Qxc -0.1563722E+01 3,-1 54 3 +1 -1.790945 2.416246 -0.006215 Rho 0.7382857E-02 |GRAD(Rho)| 0.2338766E-16 GRAD(Rho)x 0.5514366E-17 GRAD(Rho)y 0.8621480E-17 GRAD(Rho)z -0.2102960E-16 Laplacian 0.3208105E-01 (-1/4)Del**2(Rho)) -0.8020263E-02 Diamond 0.8831534E-03 Metallicity 0.6012734E+00 Ellipticity -0.1503506E+01 Gb(Abramov) 0.6150570E-02 Vb(Abramov) -0.4280878E-02 Hb(Abramov) 0.1869692E-02 Ex_ueg -0.1061739E-02 Ec_ueg -0.2508554E-03 Delta_ex -0.1512974E-02 Delta_ec 0.6345100E-03 Delta_et -0.4014125E-02 Pxc 0.4232474E+01 Qxc -0.2384476E+01 3,+1 55 3 -1 -1.931595 0.871727 -0.722903 Rho 0.4553597E-01 |GRAD(Rho)| 0.6666161E-13 GRAD(Rho)x 0.8057770E-14 GRAD(Rho)y -0.5824933E-13 GRAD(Rho)z 0.3139839E-13 Laplacian 0.1199124E+00 (-1/4)Del**2(Rho)) -0.2997811E-01 Diamond 0.8208451E-01 Metallicity 0.3336874E+01 Ellipticity 0.4441542E-02 Gb(Abramov) 0.3665761E-01 Vb(Abramov) -0.4333710E-01 Hb(Abramov) -0.6679495E-02 Ex_ueg -0.1200949E-01 Ec_ueg -0.2169646E-02 Delta_ex -0.1103552E-01 Delta_ec 0.6064518E-02 Delta_et -0.6291408E-01 Pxc 0.5535229E+01 Qxc -0.1819686E+01 3,-1 56 3 -1 -1.937509 0.875005 0.717289 Rho 0.4327453E-01 |GRAD(Rho)| 0.6041315E-17 GRAD(Rho)x 0.3386751E-19 GRAD(Rho)y -0.5280722E-17 GRAD(Rho)z -0.2934332E-17 Laplacian 0.1165590E+00 (-1/4)Del**2(Rho)) -0.2913975E-01 Diamond 0.7343458E-01 Metallicity 0.3153464E+01 Ellipticity 0.3342775E-02 Gb(Abramov) 0.3474170E-01 Vb(Abramov) -0.4034364E-01 Hb(Abramov) -0.5601944E-02 Ex_ueg -0.1122091E-01 Ec_ueg -0.2046634E-02 Delta_ex -0.1055361E-01 Delta_ec 0.5798171E-02 Delta_et -0.5924747E-01 Pxc 0.5482618E+01 Qxc -0.1820163E+01 3,-1 57 3 +1 -1.425844 1.140965 -2.485490 Rho 0.8611540E-02 |GRAD(Rho)| 0.4152855E-14 GRAD(Rho)x 0.3620183E-14 GRAD(Rho)y 0.1908233E-14 GRAD(Rho)z -0.7064874E-15 Laplacian 0.3924839E-01 (-1/4)Del**2(Rho)) -0.9812096E-02 Diamond 0.1230041E-02 Metallicity 0.6352228E+00 Ellipticity -0.1440321E+01 Gb(Abramov) 0.7580209E-02 Vb(Abramov) -0.5348321E-02 Hb(Abramov) 0.2231888E-02 Ex_ueg -0.1303645E-02 Ec_ueg -0.3054965E-03 Delta_ex -0.1873591E-02 Delta_ec 0.6950547E-03 Delta_et -0.4636367E-02 Pxc 0.4267301E+01 Qxc -0.2695602E+01 3,+1 58 3 -1 -1.696755 0.072016 -1.636949 Rho 0.6595091E-02 |GRAD(Rho)| 0.1994502E-16 GRAD(Rho)x -0.3173586E-17 GRAD(Rho)y 0.1879808E-16 GRAD(Rho)z 0.5862113E-17 Laplacian 0.2516709E-01 (-1/4)Del**2(Rho)) -0.6291773E-02 Diamond 0.8981059E-03 Metallicity 0.6350600E+00 Ellipticity 0.2239774E+01 Gb(Abramov) 0.4860458E-02 Vb(Abramov) -0.3429142E-02 Hb(Abramov) 0.1431316E-02 Ex_ueg -0.9134388E-03 Ec_ueg -0.2161889E-03 Delta_ex -0.1351110E-02 Delta_ec 0.8455001E-03 Delta_et -0.4968176E-02 Pxc 0.4225187E+01 Qxc -0.1598001E+01 3,-1 59 3 +1 -1.257579 -0.088632 -1.645532 Rho 0.6178251E-02 |GRAD(Rho)| 0.2731587E-12 GRAD(Rho)x -0.8746387E-13 GRAD(Rho)y -0.2587258E-12 GRAD(Rho)z 0.5171055E-14 Laplacian 0.2487638E-01 (-1/4)Del**2(Rho)) -0.6219096E-02 Diamond 0.6010209E-03 Metallicity 0.5762379E+00 Ellipticity -0.1775862E+01 Gb(Abramov) 0.4743344E-02 Vb(Abramov) -0.3267592E-02 Hb(Abramov) 0.1475752E-02 Ex_ueg -0.8372833E-03 Ec_ueg -0.1979649E-03 Delta_ex -0.1170067E-02 Delta_ec 0.5706237E-03 Delta_et -0.3385306E-02 Pxc 0.4229454E+01 Qxc -0.2050506E+01 3,+1 60 3 +1 -1.449729 1.146119 2.477129 Rho 0.8413932E-02 |GRAD(Rho)| 0.1411251E-13 GRAD(Rho)x -0.1279171E-13 GRAD(Rho)y -0.4801467E-14 GRAD(Rho)z -0.3532869E-14 Laplacian 0.3824727E-01 (-1/4)Del**2(Rho)) -0.9561819E-02 Diamond 0.1186855E-02 Metallicity 0.6271109E+00 Ellipticity -0.1456243E+01 Gb(Abramov) 0.7373932E-02 Vb(Abramov) -0.5186046E-02 Hb(Abramov) 0.2187886E-02 Ex_ueg -0.1263913E-02 Ec_ueg -0.2966626E-03 Delta_ex -0.1827352E-02 Delta_ec 0.6983628E-03 Delta_et -0.4615506E-02 Pxc 0.4260438E+01 Qxc -0.2616622E+01 3,+1 61 3 +1 -1.332303 -0.057231 1.644535 Rho 0.5952245E-02 |GRAD(Rho)| 0.3743557E-14 GRAD(Rho)x 0.3576699E-14 GRAD(Rho)y -0.6525447E-15 GRAD(Rho)z -0.8919835E-15 Laplacian 0.2353700E-01 (-1/4)Del**2(Rho)) -0.5884251E-02 Diamond 0.5706012E-03 Metallicity 0.5723521E+00 Ellipticity -0.1996537E+01 Gb(Abramov) 0.4484145E-02 Vb(Abramov) -0.3084038E-02 Hb(Abramov) 0.1400106E-02 Ex_ueg -0.7966963E-03 Ec_ueg -0.1881192E-03 Delta_ex -0.1120034E-02 Delta_ec 0.5791037E-03 Delta_et -0.3377745E-02 Pxc 0.4235061E+01 Qxc -0.1934081E+01 3,+1 62 3 +1 1.160121 -0.371296 2.353767 Rho 0.2264806E-01 |GRAD(Rho)| 0.1953990E-16 GRAD(Rho)x -0.1036927E-16 GRAD(Rho)y -0.2460007E-17 GRAD(Rho)z -0.1637787E-16 Laplacian 0.8910967E-01 (-1/4)Del**2(Rho)) -0.2227742E-01 Diamond 0.1116180E-01 Metallicity 0.1401974E+01 Ellipticity -0.5603960E+01 Gb(Abramov) 0.2005700E-01 Vb(Abramov) -0.1783659E-01 Hb(Abramov) 0.2220413E-02 Ex_ueg -0.4732525E-02 Ec_ueg -0.9710423E-03 Delta_ex -0.5520769E-02 Delta_ec 0.1730845E-02 Delta_et -0.1484577E-01 Pxc 0.4873655E+01 Qxc -0.3189637E+01 3,+1 63 3 -1 -1.035758 -0.160829 -3.369880 Rho 0.2200233E+00 |GRAD(Rho)| 0.1505119E-12 GRAD(Rho)x 0.1430893E-12 GRAD(Rho)y 0.1644815E-13 GRAD(Rho)z -0.4368902E-13 Laplacian 0.8455367E+00 (-1/4)Del**2(Rho)) -0.2113842E+00 Diamond 0.2665016E+01 Metallicity 0.6535242E+01 Ellipticity 0.2405117E-01 Gb(Abramov) 0.3711639E+00 Vb(Abramov) -0.5309437E+00 Hb(Abramov) -0.1597797E+00 Ex_ueg -0.9810170E-01 Ec_ueg -0.1306912E-01 Delta_ex -0.9970628E-01 Delta_ec 0.1885219E-01 Delta_et -0.2589058E+00 Pxc 0.7506373E+01 Qxc -0.5288843E+01 3,-1 64 3 -1 0.982873 -0.120606 -3.483033 Rho 0.8203646E-01 |GRAD(Rho)| 0.5823853E-16 GRAD(Rho)x -0.4764391E-16 GRAD(Rho)y -0.1957917E-17 GRAD(Rho)z -0.3343578E-16 Laplacian 0.3338560E+00 (-1/4)Del**2(Rho)) -0.8346399E-01 Diamond 0.3239136E+00 Metallicity 0.3196923E+01 Ellipticity 0.3322016E-02 Gb(Abramov) 0.1001140E+00 Vb(Abramov) -0.1167640E+00 Hb(Abramov) -0.1665000E-01 Ex_ueg -0.2632657E-01 Ec_ueg -0.4250416E-02 Delta_ex -0.3102286E-01 Delta_ec 0.9596007E-02 Delta_et -0.1142447E+00 Pxc 0.6193881E+01 Qxc -0.3232893E+01 3,-1 65 3 -1 -1.026162 -0.162150 3.388348 Rho 0.2289593E+00 |GRAD(Rho)| 0.1503797E-12 GRAD(Rho)x 0.1455399E-12 GRAD(Rho)y 0.9151798E-14 GRAD(Rho)z 0.3672101E-13 Laplacian 0.8873196E+00 (-1/4)Del**2(Rho)) -0.2218299E+00 Diamond 0.2927321E+01 Metallicity 0.6654725E+01 Ellipticity 0.1801490E-01 Gb(Abramov) 0.3939228E+00 Vb(Abramov) -0.5660157E+00 Hb(Abramov) -0.1720929E+00 Ex_ueg -0.1034497E+00 Ec_ueg -0.1367924E-01 Delta_ex -0.1056840E+00 Delta_ec 0.1948999E-01 Delta_et -0.2678612E+00 Pxc 0.7562536E+01 Qxc -0.5422473E+01 3,-1 66 3 +1 1.022063 -0.357241 -2.446007 Rho 0.2141223E-01 |GRAD(Rho)| 0.6562205E-16 GRAD(Rho)x -0.3141634E-16 GRAD(Rho)y -0.1887109E-16 GRAD(Rho)z 0.5443481E-16 Laplacian 0.8192074E-01 (-1/4)Del**2(Rho)) -0.2048018E-01 Diamond 0.8508051E-02 Metallicity 0.1388851E+01 Ellipticity -0.2924676E+01 Gb(Abramov) 0.1839411E-01 Vb(Abramov) -0.1630804E-01 Hb(Abramov) 0.2086074E-02 Ex_ueg -0.4391378E-02 Ec_ueg -0.9098296E-03 Delta_ex -0.4869556E-02 Delta_ec 0.1354417E-02 Delta_et -0.1151795E-01 Pxc 0.4826594E+01 Qxc -0.3595314E+01 3,+1 67 3 +1 0.122229 0.944616 -1.577991 Rho 0.8459830E-02 |GRAD(Rho)| 0.1864203E-14 GRAD(Rho)x -0.4761385E-15 GRAD(Rho)y 0.1797578E-14 GRAD(Rho)z -0.1313750E-15 Laplacian 0.3481074E-01 (-1/4)Del**2(Rho)) -0.8702686E-02 Diamond 0.9418371E-03 Metallicity 0.6952952E+00 Ellipticity -0.1414634E+01 Gb(Abramov) 0.6810280E-02 Vb(Abramov) -0.4917874E-02 Hb(Abramov) 0.1892406E-02 Ex_ueg -0.1273114E-02 Ec_ueg -0.2987129E-03 Delta_ex -0.1597919E-02 Delta_ec 0.5152416E-03 Delta_et -0.3486060E-02 Pxc 0.4261998E+01 Qxc -0.3101300E+01 3,+1 68 3 -1 0.018174 -1.132210 -3.496600 Rho 0.1118610E+00 |GRAD(Rho)| 0.1882022E-15 GRAD(Rho)x -0.1782496E-16 GRAD(Rho)y -0.1872214E-15 GRAD(Rho)z 0.7105759E-17 Laplacian 0.4284229E+00 (-1/4)Del**2(Rho)) -0.1071057E+00 Diamond 0.6131392E+00 Metallicity 0.4177071E+01 Ellipticity 0.2243422E-01 Gb(Abramov) 0.1459685E+00 Vb(Abramov) -0.1848313E+00 Hb(Abramov) -0.3886278E-01 Ex_ueg -0.3980675E-01 Ec_ueg -0.6048988E-02 Delta_ex -0.4291106E-01 Delta_ec 0.1173496E-01 Delta_et -0.1490581E+00 Pxc 0.6580729E+01 Qxc -0.3656688E+01 3,-1 69 3 -1 -0.791708 0.001771 -0.002983 Rho 0.2169834E+00 |GRAD(Rho)| 0.1884962E-13 GRAD(Rho)x -0.1145597E-13 GRAD(Rho)y 0.1496883E-13 GRAD(Rho)z -0.5450873E-16 Laplacian 0.8627249E+00 (-1/4)Del**2(Rho)) -0.2156812E+00 Diamond 0.2870647E+01 Metallicity 0.6258235E+01 Ellipticity 0.8408121E-02 Gb(Abramov) 0.3687514E+00 Vb(Abramov) -0.5218216E+00 Hb(Abramov) -0.1530702E+00 Ex_ueg -0.9629872E-01 Ec_ueg -0.1286257E-01 Delta_ex -0.1025641E+00 Delta_ec 0.2144930E-01 Delta_et -0.3027817E+00 Pxc 0.7486738E+01 Qxc -0.4781699E+01 3,-1 70 3 +1 -0.460308 -3.133337 0.027268 Rho 0.1500470E-01 |GRAD(Rho)| 0.9171134E-17 GRAD(Rho)x -0.9053088E-17 GRAD(Rho)y 0.1383205E-17 GRAD(Rho)z 0.4878910E-18 Laplacian 0.7071057E-01 (-1/4)Del**2(Rho)) -0.1767764E-01 Diamond 0.3894918E-02 Metallicity 0.8895584E+00 Ellipticity -0.1420344E+01 Gb(Abramov) 0.1440598E-01 Vb(Abramov) -0.1113431E-01 Hb(Abramov) 0.3271665E-02 Ex_ueg -0.2733306E-02 Ec_ueg -0.5999944E-03 Delta_ex -0.3697954E-02 Delta_ec 0.9344854E-03 Delta_et -0.7384973E-02 Pxc 0.4555552E+01 Qxc -0.3957209E+01 3,+1 71 3 -1 -0.495823 -3.075967 1.569459 Rho 0.2132313E+00 |GRAD(Rho)| 0.2203656E-15 GRAD(Rho)x -0.1031076E-15 GRAD(Rho)y -0.1093795E-15 GRAD(Rho)z -0.1611395E-15 Laplacian 0.8185521E+00 (-1/4)Del**2(Rho)) -0.2046380E+00 Diamond 0.2497945E+01 Metallicity 0.6406958E+01 Ellipticity 0.2031272E-01 Gb(Abramov) 0.3549432E+00 Vb(Abramov) -0.5052484E+00 Hb(Abramov) -0.1503052E+00 Ex_ueg -0.9408486E-01 Ec_ueg -0.1260833E-01 Delta_ex -0.9582816E-01 Delta_ec 0.1856449E-01 Delta_et -0.2551004E+00 Pxc 0.7462117E+01 Qxc -0.5161907E+01 3,-1 72 3 -1 -0.382210 -3.062931 -1.560302 Rho 0.1485777E+00 |GRAD(Rho)| 0.5036759E-15 GRAD(Rho)x 0.4814942E-15 GRAD(Rho)y -0.7890281E-16 GRAD(Rho)z -0.1250085E-15 Laplacian 0.5592946E+00 (-1/4)Del**2(Rho)) -0.1398236E+00 Diamond 0.1140936E+01 Metallicity 0.5135256E+01 Ellipticity 0.1106013E+00 Gb(Abramov) 0.2128875E+00 Vb(Abramov) -0.2859513E+00 Hb(Abramov) -0.7306382E-01 Ex_ueg -0.5811970E-01 Ec_ueg -0.8352531E-02 Delta_ex -0.6012858E-01 Delta_ec 0.1459199E-01 Delta_et -0.1948262E+00 Pxc 0.6958334E+01 Qxc -0.4120655E+01 3,-1 73 3 +1 0.114024 0.941587 1.570293 Rho 0.8733093E-02 |GRAD(Rho)| 0.6227602E-16 GRAD(Rho)x -0.4378448E-16 GRAD(Rho)y -0.2985492E-16 GRAD(Rho)z 0.3270942E-16 Laplacian 0.3641303E-01 (-1/4)Del**2(Rho)) -0.9103257E-02 Diamond 0.1021552E-02 Metallicity 0.7008685E+00 Ellipticity -0.1405995E+01 Gb(Abramov) 0.7132202E-02 Vb(Abramov) -0.5161148E-02 Hb(Abramov) 0.1971055E-02 Ex_ueg -0.1328238E-02 Ec_ueg -0.3109390E-03 Delta_ex -0.1681663E-02 Delta_ec 0.5332611E-03 Delta_et -0.3642355E-02 Pxc 0.4271699E+01 Qxc -0.3153545E+01 3,+1 74 3 +3 1.178546 1.087113 1.689294 Rho 0.4077867E-02 |GRAD(Rho)| 0.3486409E-17 GRAD(Rho)x 0.1411422E-17 GRAD(Rho)y 0.7039580E-18 GRAD(Rho)z -0.3109241E-17 Laplacian 0.1702532E-01 (-1/4)Del**2(Rho)) -0.4256331E-02 Diamond 0.1307911E-03 Metallicity 0.4212819E+00 Ellipticity -0.2453398E+00 Gb(Abramov) 0.3136406E-02 Vb(Abramov) -0.2016482E-02 Hb(Abramov) 0.1119924E-02 Ex_ueg -0.4811669E-03 Ec_ueg -0.1074481E-03 Delta_ex -0.6058039E-03 Delta_ec 0.1638032E-03 Delta_et -0.9898021E-03 Pxc 0.4478135E+01 Qxc -0.3698365E+01 3,+3 75 3 -1 0.436746 -1.833600 1.536972 Rho 0.3915083E-01 |GRAD(Rho)| 0.4598175E-13 GRAD(Rho)x -0.3675865E-13 GRAD(Rho)y -0.2754706E-13 GRAD(Rho)z -0.2069552E-14 Laplacian 0.1506209E+00 (-1/4)Del**2(Rho)) -0.3765524E-01 Diamond 0.5430372E-01 Metallicity 0.2065203E+01 Ellipticity 0.1266172E-01 Gb(Abramov) 0.3806444E-01 Vb(Abramov) -0.3847364E-01 Hb(Abramov) -0.4092037E-03 Ex_ueg -0.9818375E-02 Ec_ueg -0.1824592E-02 Delta_ex -0.1163705E-01 Delta_ec 0.4447703E-02 Delta_et -0.4394236E-01 Pxc 0.5381136E+01 Qxc -0.2616417E+01 3,-1 76 3 -1 -0.192583 2.373015 -2.374644 Rho 0.1427586E+00 |GRAD(Rho)| 0.2562521E-15 GRAD(Rho)x -0.1380054E-15 GRAD(Rho)y 0.1903859E-15 GRAD(Rho)z 0.1018472E-15 Laplacian 0.5913321E+00 (-1/4)Del**2(Rho)) -0.1478330E+00 Diamond 0.1127584E+01 Metallicity 0.4544145E+01 Ellipticity 0.1541953E-01 Gb(Abramov) 0.2105178E+00 Vb(Abramov) -0.2732026E+00 Hb(Abramov) -0.6268478E-01 Ex_ueg -0.5510463E-01 Ec_ueg -0.7981584E-02 Delta_ex -0.6272122E-01 Delta_ec 0.1515720E-01 Delta_et -0.2002811E+00 Pxc 0.6903972E+01 Qxc -0.4138049E+01 3,-1 77 3 -1 -0.102030 2.282732 -0.841624 Rho 0.4203166E-01 |GRAD(Rho)| 0.1326430E-15 GRAD(Rho)x 0.4832662E-16 GRAD(Rho)y -0.6030112E-16 GRAD(Rho)z 0.1078076E-15 Laplacian 0.1604274E+00 (-1/4)Del**2(Rho)) -0.4010684E-01 Diamond 0.6251967E-01 Metallicity 0.2182541E+01 Ellipticity 0.1863387E-01 Gb(Abramov) 0.4132703E-01 Vb(Abramov) -0.4254722E-01 Hb(Abramov) -0.1220188E-02 Ex_ueg -0.1079329E-01 Ec_ueg -0.1979395E-02 Delta_ex -0.1255109E-01 Delta_ec 0.4620341E-02 Delta_et -0.4650895E-01 Pxc 0.5452822E+01 Qxc -0.2716485E+01 3,-1 78 3 -1 -0.104128 2.278712 0.847857 Rho 0.4250306E-01 |GRAD(Rho)| 0.6883655E-16 GRAD(Rho)x -0.2173984E-16 GRAD(Rho)y -0.2944752E-16 GRAD(Rho)z -0.5829831E-16 Laplacian 0.1619965E+00 (-1/4)Del**2(Rho)) -0.4049911E-01 Diamond 0.6417458E-01 Metallicity 0.2201953E+01 Ellipticity 0.1666561E-01 Gb(Abramov) 0.4186227E-01 Vb(Abramov) -0.4322542E-01 Hb(Abramov) -0.1363153E-02 Ex_ueg -0.1095499E-01 Ec_ueg -0.2004867E-02 Delta_ex -0.1271350E-01 Delta_ec 0.4672649E-02 Delta_et -0.4717605E-01 Pxc 0.5464200E+01 Qxc -0.2720833E+01 3,-1 79 3 +1 0.607445 3.437668 -0.001125 Rho 0.1283666E-01 |GRAD(Rho)| 0.1116498E-16 GRAD(Rho)x -0.7419324E-17 GRAD(Rho)y -0.4520781E-17 GRAD(Rho)z -0.7012341E-17 Laplacian 0.6102429E-01 (-1/4)Del**2(Rho)) -0.1525607E-01 Diamond 0.2209223E-02 Metallicity 0.7946892E+00 Ellipticity -0.1157373E+01 Gb(Abramov) 0.1219136E-01 Vb(Abramov) -0.9126637E-02 Hb(Abramov) 0.3064718E-02 Ex_ueg -0.2219838E-02 Ec_ueg -0.4983288E-03 Delta_ex -0.2928635E-02 Delta_ec 0.5690513E-03 Delta_et -0.4502626E-02 Pxc 0.4454565E+01 Qxc -0.5146522E+01 3,+1 80 3 -1 -0.198231 2.366967 2.370324 Rho 0.1502717E+00 |GRAD(Rho)| 0.2977881E-15 GRAD(Rho)x 0.1114221E-15 GRAD(Rho)y -0.1357963E-15 GRAD(Rho)z -0.2404625E-15 Laplacian 0.6274804E+00 (-1/4)Del**2(Rho)) -0.1568701E+00 Diamond 0.1269952E+01 Metallicity 0.4664533E+01 Ellipticity 0.1631898E-01 Gb(Abramov) 0.2265343E+00 Vb(Abramov) -0.2961986E+00 Hb(Abramov) -0.6966425E-01 Ex_ueg -0.5900487E-01 Ec_ueg -0.8460906E-02 Delta_ex -0.6737170E-01 Delta_ec 0.1583533E-01 Delta_et -0.2106719E+00 Pxc 0.6973823E+01 Qxc -0.4254517E+01 3,-1 81 3 +1 1.499631 1.351842 -2.204927 Rho 0.4943965E-02 |GRAD(Rho)| 0.2059571E-12 GRAD(Rho)x 0.1085086E-12 GRAD(Rho)y 0.6621715E-13 GRAD(Rho)z 0.1620479E-12 Laplacian 0.2025424E-01 (-1/4)Del**2(Rho)) -0.5063560E-02 Diamond 0.4743110E-03 Metallicity 0.4881533E+00 Ellipticity -0.3081622E+01 Gb(Abramov) 0.3787672E-02 Vb(Abramov) -0.2511785E-02 Hb(Abramov) 0.1275888E-02 Ex_ueg -0.6220409E-03 Ec_ueg -0.1445022E-03 Delta_ex -0.1013397E-02 Delta_ec 0.6530759E-03 Delta_et -0.3528578E-02 Pxc 0.4304716E+01 Qxc -0.1551729E+01 3,+1 82 3 +1 -0.302930 2.705942 0.005756 Rho 0.2519168E-01 |GRAD(Rho)| 0.1162972E-16 GRAD(Rho)x -0.5003430E-17 GRAD(Rho)y -0.1048561E-16 GRAD(Rho)z -0.5176497E-18 Laplacian 0.9584429E-01 (-1/4)Del**2(Rho)) -0.2396107E-01 Diamond 0.1274808E-01 Metallicity 0.1556475E+01 Ellipticity -0.4383980E+01 Gb(Abramov) 0.2218985E-01 Vb(Abramov) -0.2041863E-01 Hb(Abramov) 0.1771222E-02 Ex_ueg -0.5454161E-02 Ec_ueg -0.1098370E-02 Delta_ex -0.5981794E-02 Delta_ec 0.1641799E-02 Delta_et -0.1451607E-01 Pxc 0.4965687E+01 Qxc -0.3643439E+01 3,+1 83 3 +1 1.484330 1.401983 2.131456 Rho 0.4802133E-02 |GRAD(Rho)| 0.7663780E-16 GRAD(Rho)x 0.1566310E-16 GRAD(Rho)y -0.6187776E-16 GRAD(Rho)z 0.4241654E-16 Laplacian 0.1959151E-01 (-1/4)Del**2(Rho)) -0.4897878E-02 Diamond 0.4524739E-03 Metallicity 0.4807680E+00 Ellipticity -0.3636327E+01 Gb(Abramov) 0.3657709E-02 Vb(Abramov) -0.2417541E-02 Hb(Abramov) 0.1240169E-02 Ex_ueg -0.5983620E-03 Ec_ueg -0.1384078E-03 Delta_ex -0.9858721E-03 Delta_ec 0.6514459E-03 Delta_et -0.3481222E-02 Pxc 0.4323183E+01 Qxc -0.1513360E+01 3,+1 84 3 -1 0.717476 -3.196053 0.865474 Rho 0.1342683E+00 |GRAD(Rho)| 0.7090467E-14 GRAD(Rho)x -0.3207504E-14 GRAD(Rho)y -0.5082401E-14 GRAD(Rho)z -0.3762425E-14 Laplacian 0.5526080E+00 (-1/4)Del**2(Rho)) -0.1381520E+00 Diamond 0.9896109E+00 Metallicity 0.4390209E+01 Ellipticity 0.1389447E-01 Gb(Abramov) 0.1931873E+00 Vb(Abramov) -0.2482227E+00 Hb(Abramov) -0.5503535E-01 Ex_ueg -0.5077887E-01 Ec_ueg -0.7444198E-02 Delta_ex -0.5786950E-01 Delta_ec 0.1459784E-01 Delta_et -0.1915334E+00 Pxc 0.6821269E+01 Qxc -0.3964251E+01 3,-1 85 3 -1 0.561279 -3.935252 2.217133 Rho 0.2341692E+00 |GRAD(Rho)| 0.1709746E-15 GRAD(Rho)x 0.1090030E-15 GRAD(Rho)y 0.9053088E-16 GRAD(Rho)z -0.9568084E-16 Laplacian 0.8565114E+00 (-1/4)Del**2(Rho)) -0.2141279E+00 Diamond 0.2942811E+01 Metallicity 0.7157524E+01 Ellipticity 0.1182778E-01 Gb(Abramov) 0.3981895E+00 Vb(Abramov) -0.5822510E+00 Hb(Abramov) -0.1840616E+00 Ex_ueg -0.1066002E+00 Ec_ueg -0.1403697E-01 Delta_ex -0.1028329E+00 Delta_ec 0.1907766E-01 Delta_et -0.2640974E+00 Pxc 0.7594242E+01 Qxc -0.5390225E+01 3,-1 86 3 -1 0.790035 -3.189199 -0.871354 Rho 0.1451528E+00 |GRAD(Rho)| 0.8354544E-15 GRAD(Rho)x 0.4975133E-16 GRAD(Rho)y 0.8118303E-16 GRAD(Rho)z -0.8300110E-15 Laplacian 0.6068488E+00 (-1/4)Del**2(Rho)) -0.1517122E+00 Diamond 0.1181910E+01 Metallicity 0.4552412E+01 Ellipticity 0.1448869E-01 Gb(Abramov) 0.2162509E+00 Vb(Abramov) -0.2807895E+00 Hb(Abramov) -0.6453867E-01 Ex_ueg -0.5634026E-01 Ec_ueg -0.8133947E-02 Delta_ex -0.6464383E-01 Delta_ec 0.1551727E-01 Delta_et -0.2055929E+00 Pxc 0.6926558E+01 Qxc -0.4165928E+01 3,-1 87 3 +1 0.570494 -1.760636 0.011718 Rho 0.8080924E-02 |GRAD(Rho)| 0.2754360E-14 GRAD(Rho)x -0.2434559E-15 GRAD(Rho)y 0.1211254E-14 GRAD(Rho)z -0.2461726E-14 Laplacian 0.3380520E-01 (-1/4)Del**2(Rho)) -0.8451299E-02 Diamond 0.8650113E-03 Metallicity 0.6633327E+00 Ellipticity -0.1388799E+01 Gb(Abramov) 0.6568537E-02 Vb(Abramov) -0.4685774E-02 Hb(Abramov) 0.1882763E-02 Ex_ueg -0.1197659E-02 Ec_ueg -0.2818154E-03 Delta_ex -0.1536871E-02 Delta_ec 0.5053279E-03 Delta_et -0.3374416E-02 Pxc 0.4249799E+01 Qxc -0.3041334E+01 3,+1 88 3 -1 1.464322 -2.705673 1.953170 Rho 0.9560813E-01 |GRAD(Rho)| 0.2969935E-15 GRAD(Rho)x 0.2354074E-16 GRAD(Rho)y 0.2850334E-15 GRAD(Rho)z -0.8004334E-16 Laplacian 0.3852047E+00 (-1/4)Del**2(Rho)) -0.9630117E-01 Diamond 0.4509437E+00 Metallicity 0.3576128E+01 Ellipticity 0.3164235E-02 Gb(Abramov) 0.1215983E+00 Vb(Abramov) -0.1468955E+00 Hb(Abramov) -0.2529716E-01 Ex_ueg -0.3228828E-01 Ec_ueg -0.5059785E-02 Delta_ex -0.3709779E-01 Delta_ec 0.1075463E-01 Delta_et -0.1322870E+00 Pxc 0.6381353E+01 Qxc -0.3449470E+01 3,-1 89 3 -1 0.351458 -2.520503 -2.696933 Rho 0.1562287E+00 |GRAD(Rho)| 0.1349573E-15 GRAD(Rho)x 0.5331564E-16 GRAD(Rho)y -0.4878910E-18 GRAD(Rho)z 0.1239785E-15 Laplacian 0.6288868E+00 (-1/4)Del**2(Rho)) -0.1572217E+00 Diamond 0.1337099E+01 Metallicity 0.4965642E+01 Ellipticity 0.6012616E-01 Gb(Abramov) 0.2349322E+00 Vb(Abramov) -0.3126428E+00 Hb(Abramov) -0.7771055E-01 Ex_ueg -0.6214404E-01 Ec_ueg -0.8843426E-02 Delta_ex -0.6820622E-01 Delta_ec 0.1577531E-01 Delta_et -0.2111141E+00 Pxc 0.7027146E+01 Qxc -0.4323607E+01 3,-1 90 3 -1 0.533953 -1.823504 -1.533850 Rho 0.3910018E-01 |GRAD(Rho)| 0.1183255E-13 GRAD(Rho)x -0.1867035E-14 GRAD(Rho)y -0.1114816E-13 GRAD(Rho)z -0.3498873E-14 Laplacian 0.1509594E+00 (-1/4)Del**2(Rho)) -0.3773984E-01 Diamond 0.5402268E-01 Metallicity 0.2056133E+01 Ellipticity 0.2088174E-01 Gb(Abramov) 0.3809291E-01 Vb(Abramov) -0.3844599E-01 Hb(Abramov) -0.3530725E-03 Ex_ueg -0.9801446E-02 Ec_ueg -0.1821884E-02 Delta_ex -0.1164107E-01 Delta_ec 0.4424908E-02 Delta_et -0.4369859E-01 Pxc 0.5379841E+01 Qxc -0.2630804E+01 3,-1 91 3 +1 1.423186 -1.452312 2.846216 Rho 0.1216878E-01 |GRAD(Rho)| 0.1778393E-13 GRAD(Rho)x -0.8435693E-14 GRAD(Rho)y -0.1359825E-13 GRAD(Rho)z -0.7758542E-14 Laplacian 0.5621761E-01 (-1/4)Del**2(Rho)) -0.1405440E-01 Diamond 0.2007949E-02 Metallicity 0.7891376E+00 Ellipticity -0.1222454E+01 Gb(Abramov) 0.1121808E-01 Vb(Abramov) -0.8381753E-02 Hb(Abramov) 0.2836325E-02 Ex_ueg -0.2067194E-02 Ec_ueg -0.4673662E-03 Delta_ex -0.2691782E-02 Delta_ec 0.5837176E-03 Delta_et -0.4503222E-02 Pxc 0.4423071E+01 Qxc -0.4611446E+01 3,+1 92 3 +1 2.067516 -2.072209 0.023454 Rho 0.4964123E-02 |GRAD(Rho)| 0.3252366E-17 GRAD(Rho)x 0.2659485E-18 GRAD(Rho)y -0.2970528E-17 GRAD(Rho)z -0.1297350E-17 Laplacian 0.2039182E-01 (-1/4)Del**2(Rho)) -0.5097955E-02 Diamond 0.5116776E-03 Metallicity 0.4881592E+00 Ellipticity -0.5958750E+01 Gb(Abramov) 0.3813406E-02 Vb(Abramov) -0.2528856E-02 Hb(Abramov) 0.1284549E-02 Ex_ueg -0.6254249E-03 Ec_ueg -0.1453692E-03 Delta_ex -0.1050630E-02 Delta_ec 0.7102824E-03 Delta_et -0.3821517E-02 Pxc 0.4302320E+01 Qxc -0.1479172E+01 3,+1 93 3 +1 1.626418 -0.649947 0.028774 Rho 0.7484772E-02 |GRAD(Rho)| 0.3170782E-14 GRAD(Rho)x 0.2876608E-15 GRAD(Rho)y 0.1543817E-17 GRAD(Rho)z -0.3157706E-14 Laplacian 0.3064912E-01 (-1/4)Del**2(Rho)) -0.7662281E-02 Diamond 0.7418085E-03 Metallicity 0.6439114E+00 Ellipticity -0.1433464E+01 Gb(Abramov) 0.5930492E-02 Vb(Abramov) -0.4198704E-02 Hb(Abramov) 0.1731789E-02 Ex_ueg -0.1081326E-02 Ec_ueg -0.2553615E-03 Delta_ex -0.1386220E-02 Delta_ec 0.4922001E-03 Delta_et -0.3194202E-02 Pxc 0.4234490E+01 Qxc -0.2816374E+01 3,+1 94 3 +3 1.585633 -1.624530 0.029352 Rho 0.4093537E-02 |GRAD(Rho)| 0.7400355E-17 GRAD(Rho)x 0.3129893E-17 GRAD(Rho)y 0.6681773E-17 GRAD(Rho)z -0.5682797E-18 Laplacian 0.1700197E-01 (-1/4)Del**2(Rho)) -0.4250492E-02 Diamond 0.1273360E-03 Metallicity 0.4245660E+00 Ellipticity -0.2734706E+00 Gb(Abramov) 0.3134430E-02 Vb(Abramov) -0.2018369E-02 Hb(Abramov) 0.1116062E-02 Ex_ueg -0.4836338E-03 Ec_ueg -0.1081150E-03 Delta_ex -0.6007598E-03 Delta_ec 0.1550149E-03 Delta_et -0.9491066E-03 Pxc 0.4473327E+01 Qxc -0.3875497E+01 3,+3 95 3 +1 1.414077 -1.455205 -2.849037 Rho 0.1211279E-01 |GRAD(Rho)| 0.7856796E-15 GRAD(Rho)x 0.7212035E-15 GRAD(Rho)y 0.2393005E-15 GRAD(Rho)z 0.1997329E-15 Laplacian 0.5631502E-01 (-1/4)Del**2(Rho)) -0.1407875E-01 Diamond 0.2020384E-02 Metallicity 0.7817400E+00 Ellipticity -0.1225247E+01 Gb(Abramov) 0.1122016E-01 Vb(Abramov) -0.8361560E-02 Hb(Abramov) 0.2858597E-02 Ex_ueg -0.2054520E-02 Ec_ueg -0.4647781E-03 Delta_ex -0.2699256E-02 Delta_ec 0.5957821E-03 Delta_et -0.4580968E-02 Pxc 0.4420433E+01 Qxc -0.4530609E+01 3,+1 96 3 +3 1.167602 1.100833 -1.685198 Rho 0.4088870E-02 |GRAD(Rho)| 0.4948197E-17 GRAD(Rho)x -0.3658634E-17 GRAD(Rho)y -0.3326928E-17 GRAD(Rho)z -0.1749218E-18 Laplacian 0.1693637E-01 (-1/4)Del**2(Rho)) -0.4234093E-02 Diamond 0.1269650E-03 Metallicity 0.4254008E+00 Ellipticity -0.3078199E+00 Gb(Abramov) 0.3122926E-02 Vb(Abramov) -0.2011760E-02 Hb(Abramov) 0.1111166E-02 Ex_ueg -0.4828988E-03 Ec_ueg -0.1079164E-03 Delta_ex -0.5986531E-03 Delta_ec 0.1551024E-03 Delta_et -0.9484068E-03 Pxc 0.4474750E+01 Qxc -0.3859727E+01 3,+3 97 3 -1 1.712450 -0.600976 -1.559690 Rho 0.3099389E-01 |GRAD(Rho)| 0.7224991E-16 GRAD(Rho)x 0.7023174E-16 GRAD(Rho)y 0.3220492E-17 GRAD(Rho)z -0.1664878E-16 Laplacian 0.1150154E+00 (-1/4)Del**2(Rho)) -0.2875386E-01 Diamond 0.2898862E-01 Metallicity 0.1832247E+01 Ellipticity 0.7224021E-01 Gb(Abramov) 0.2794993E-01 Vb(Abramov) -0.2714601E-01 Hb(Abramov) 0.8039249E-03 Ex_ueg -0.7190403E-02 Ec_ueg -0.1394987E-02 Delta_ex -0.8293444E-02 Delta_ec 0.3227435E-02 Delta_et -0.2991967E-01 Pxc 0.5154461E+01 Qxc -0.2569670E+01 3,-1 98 3 -1 1.689959 -0.645951 1.570192 Rho 0.3045539E-01 |GRAD(Rho)| 0.5718648E-16 GRAD(Rho)x -0.5679007E-16 GRAD(Rho)y 0.5184625E-17 GRAD(Rho)z 0.4278099E-17 Laplacian 0.1136594E+00 (-1/4)Del**2(Rho)) -0.2841485E-01 Diamond 0.2783605E-01 Metallicity 0.1800728E+01 Ellipticity 0.5960207E-01 Gb(Abramov) 0.2747113E-01 Vb(Abramov) -0.2652742E-01 Hb(Abramov) 0.9437144E-03 Ex_ueg -0.7024314E-02 Ec_ueg -0.1367121E-02 Delta_ex -0.8149085E-02 Delta_ec 0.3169475E-02 Delta_et -0.2924251E-01 Pxc 0.5138036E+01 Qxc -0.2571115E+01 3,-1 99 3 +1 1.473384 0.685380 -0.879117 Rho 0.7227866E-02 |GRAD(Rho)| 0.4192270E-16 GRAD(Rho)x -0.3886368E-16 GRAD(Rho)y -0.6223366E-17 GRAD(Rho)z 0.1443596E-16 Laplacian 0.2941147E-01 (-1/4)Del**2(Rho)) -0.7352869E-02 Diamond 0.6446241E-03 Metallicity 0.6330624E+00 Ellipticity -0.1374084E+01 Gb(Abramov) 0.5677716E-02 Vb(Abramov) -0.4002564E-02 Hb(Abramov) 0.1675152E-02 Ex_ueg -0.1032124E-02 Ec_ueg -0.2440118E-03 Delta_ex -0.1299521E-02 Delta_ec 0.4375724E-03 Delta_et -0.2839169E-02 Pxc 0.4229811E+01 Qxc -0.2969842E+01 3,+1 100 3 +1 0.849396 2.483896 -0.647855 Rho 0.2621156E-01 |GRAD(Rho)| 0.3146516E-16 GRAD(Rho)x 0.8121738E-17 GRAD(Rho)y 0.1770157E-16 GRAD(Rho)z -0.2471332E-16 Laplacian 0.1051263E+00 (-1/4)Del**2(Rho)) -0.2628156E-01 Diamond 0.1565720E-01 Metallicity 0.1516085E+01 Ellipticity -0.5715012E+01 Gb(Abramov) 0.2416189E-01 Vb(Abramov) -0.2204221E-01 Hb(Abramov) 0.2119675E-02 Ex_ueg -0.5750544E-02 Ec_ueg -0.1149906E-02 Delta_ex -0.6721720E-02 Delta_ec 0.1962701E-02 Delta_et -0.1749073E-01 Pxc 0.5000882E+01 Qxc -0.3424729E+01 3,+1 101 3 +1 0.832750 2.489578 0.660130 Rho 0.2627652E-01 |GRAD(Rho)| 0.5310434E-16 GRAD(Rho)x -0.3033037E-16 GRAD(Rho)y -0.1228126E-16 GRAD(Rho)z -0.4182476E-16 Laplacian 0.1052975E+00 (-1/4)Del**2(Rho)) -0.2632438E-01 Diamond 0.1573626E-01 Metallicity 0.1519876E+01 Ellipticity -0.5793525E+01 Gb(Abramov) 0.2421789E-01 Vb(Abramov) -0.2211139E-01 Hb(Abramov) 0.2106497E-02 Ex_ueg -0.5769553E-02 Ec_ueg -0.1153197E-02 Delta_ex -0.6737081E-02 Delta_ec 0.1965917E-02 Delta_et -0.1753026E-01 Pxc 0.5003093E+01 Qxc -0.3426941E+01 3,+1 102 3 -1 1.354021 2.014943 0.006800 Rho 0.4409358E-01 |GRAD(Rho)| 0.3729599E-15 GRAD(Rho)x -0.3505785E-15 GRAD(Rho)y -0.1270935E-15 GRAD(Rho)z -0.6409856E-17 Laplacian 0.1726846E+00 (-1/4)Del**2(Rho)) -0.4317116E-01 Diamond 0.7332865E-01 Metallicity 0.2196098E+01 Ellipticity 0.1555002E-01 Gb(Abramov) 0.4458212E-01 Vb(Abramov) -0.4599308E-01 Hb(Abramov) -0.1410960E-02 Ex_ueg -0.1150497E-01 Ec_ueg -0.2091088E-02 Delta_ex -0.1374989E-01 Delta_ec 0.5108343E-02 Delta_et -0.5210288E-01 Pxc 0.5501906E+01 Qxc -0.2691654E+01 3,-1 103 3 -1 2.953610 0.433400 -1.600225 Rho 0.1311448E+00 |GRAD(Rho)| 0.1465400E-13 GRAD(Rho)x 0.1163907E-13 GRAD(Rho)y -0.6614338E-14 GRAD(Rho)z -0.5960056E-14 Laplacian 0.5464502E+00 (-1/4)Del**2(Rho)) -0.1366125E+00 Diamond 0.9493979E+00 Metallicity 0.4268883E+01 Ellipticity 0.1347304E-01 Gb(Abramov) 0.1882722E+00 Vb(Abramov) -0.2399318E+00 Hb(Abramov) -0.5165964E-01 Ex_ueg -0.4920996E-01 Ec_ueg -0.7247668E-02 Delta_ex -0.5687824E-01 Delta_ec 0.1447613E-01 Delta_et -0.1891385E+00 Pxc 0.6789765E+01 Qxc -0.3929104E+01 3,-1 104 3 +1 2.993648 0.573490 -0.030705 Rho 0.1277168E-01 |GRAD(Rho)| 0.1960291E-16 GRAD(Rho)x -0.3127194E-17 GRAD(Rho)y 0.7408336E-17 GRAD(Rho)z -0.1787768E-16 Laplacian 0.6353908E-01 (-1/4)Del**2(Rho)) -0.1588477E-01 Diamond 0.2723604E-02 Metallicity 0.7568076E+00 Ellipticity -0.1271141E+01 Gb(Abramov) 0.1259347E-01 Vb(Abramov) -0.9302162E-02 Hb(Abramov) 0.3291304E-02 Ex_ueg -0.2204867E-02 Ec_ueg -0.4953085E-03 Delta_ex -0.3161902E-02 Delta_ec 0.8011337E-03 Delta_et -0.6116669E-02 Pxc 0.4451502E+01 Qxc -0.3946784E+01 3,+1 105 3 -1 2.943703 0.373459 1.572576 Rho 0.1106683E+00 |GRAD(Rho)| 0.1130247E-14 GRAD(Rho)x 0.5927325E-16 GRAD(Rho)y -0.1064714E-14 GRAD(Rho)z 0.3746054E-15 Laplacian 0.4628444E+00 (-1/4)Del**2(Rho)) -0.1157111E+00 Diamond 0.6564844E+00 Metallicity 0.3797960E+01 Ellipticity 0.1720874E-01 Gb(Abramov) 0.1503851E+00 Vb(Abramov) -0.1850591E+00 Hb(Abramov) -0.3467399E-01 Ex_ueg -0.3924186E-01 Ec_ueg -0.5975713E-02 Delta_ex -0.4628024E-01 Delta_ec 0.1277747E-01 Delta_et -0.1620757E+00 Pxc 0.6566891E+01 Qxc -0.3622020E+01 3,-1 106 3 +1 1.464362 0.649959 0.879862 Rho 0.7245682E-02 |GRAD(Rho)| 0.1002233E-16 GRAD(Rho)x -0.6940091E-17 GRAD(Rho)y -0.5669496E-17 GRAD(Rho)z -0.4487657E-17 Laplacian 0.2967105E-01 (-1/4)Del**2(Rho)) -0.7417762E-02 Diamond 0.6689130E-03 Metallicity 0.6301042E+00 Ellipticity -0.1393127E+01 Gb(Abramov) 0.5724168E-02 Vb(Abramov) -0.4030575E-02 Hb(Abramov) 0.1693593E-02 Ex_ueg -0.1035517E-02 Ec_ueg -0.2447979E-03 Delta_ex -0.1321084E-02 Delta_ec 0.4580353E-03 Delta_et -0.2960514E-02 Pxc 0.4230091E+01 Qxc -0.2884241E+01 3,+1 107 3 +3 -0.997453 0.666264 1.722194 Rho 0.4689678E-02 |GRAD(Rho)| 0.2991653E-12 GRAD(Rho)x -0.7408028E-13 GRAD(Rho)y 0.5375885E-13 GRAD(Rho)z -0.2848192E-12 Laplacian 0.1897460E-01 (-1/4)Del**2(Rho)) -0.4743649E-02 Diamond 0.1429802E-03 Metallicity 0.4771765E+00 Ellipticity -0.5578868E+00 Gb(Abramov) 0.3539693E-02 Vb(Abramov) -0.2335736E-02 Hb(Abramov) 0.1203957E-02 Ex_ueg -0.5797523E-03 Ec_ueg -0.1335829E-03 Delta_ex -0.6658733E-03 Delta_ec 0.1225922E-03 Delta_et -0.8463435E-03 Pxc 0.4340018E+01 Qxc -0.5431612E+01 3,+3 108 3 -1 -2.104950 1.476116 -1.185189 Rho 0.3055651E+00 |GRAD(Rho)| 0.6557647E-15 GRAD(Rho)x -0.2399427E-15 GRAD(Rho)y 0.5874500E-15 GRAD(Rho)z -0.1654008E-15 Laplacian -0.1533978E+01 (-1/4)Del**2(Rho)) 0.3834945E+00 Diamond 0.5189532E+01 Metallicity -0.6227307E+01 Ellipticity 0.5739870E-03 Gb(Abramov) 0.1423600E+00 Vb(Abramov) -0.6682145E+00 Hb(Abramov) -0.5258545E+00 Ex_ueg -0.1520046E+00 Ec_ueg -0.1908931E-01 Delta_ex 0.1495558E+00 Delta_ec 0.5433590E-01 Delta_et -0.1262677E+01 Pxc 0.7962814E+01 Qxc 0.2752430E+01 3,-1 109 3 -1 -2.117110 1.484519 1.186260 Rho 0.3070903E+00 |GRAD(Rho)| 0.4112209E-13 GRAD(Rho)x 0.3759327E-13 GRAD(Rho)y 0.1439444E-13 GRAD(Rho)z -0.8400726E-14 Laplacian -0.1546663E+01 (-1/4)Del**2(Rho)) 0.3866658E+00 Diamond 0.5247428E+01 Metallicity -0.6227698E+01 Ellipticity 0.7242381E-03 Gb(Abramov) 0.1435624E+00 Vb(Abramov) -0.6737906E+00 Hb(Abramov) -0.5302282E+00 Ex_ueg -0.1530170E+00 Ec_ueg -0.1920030E-01 Delta_ex 0.1511527E+00 Delta_ec 0.5467116E-01 Delta_et -0.1273469E+01 Pxc 0.7969513E+01 Qxc 0.2764761E+01 3,-1 110 3 -1 -1.337101 -3.047115 0.217531 Rho 0.4866055E-01 |GRAD(Rho)| 0.6099602E-16 GRAD(Rho)x 0.1548501E-17 GRAD(Rho)y 0.7416504E-17 GRAD(Rho)z -0.6052365E-16 Laplacian 0.1279653E+00 (-1/4)Del**2(Rho)) -0.3199133E-01 Diamond 0.9824318E-01 Metallicity 0.3492603E+01 Ellipticity 0.9931252E-02 Gb(Abramov) 0.3994972E-01 Vb(Abramov) -0.4790811E-01 Hb(Abramov) -0.7958391E-02 Ex_ueg -0.1312062E-01 Ec_ueg -0.2340969E-02 Delta_ex -0.1205796E-01 Delta_ec 0.6664081E-02 Delta_et -0.7051963E-01 Pxc 0.5604783E+01 Qxc -0.1809396E+01 3,-1 111 3 +3 1.797420 0.319619 -0.002649 Rho 0.4354284E-02 |GRAD(Rho)| 0.7044578E-17 GRAD(Rho)x 0.1674954E-17 GRAD(Rho)y 0.3022251E-17 GRAD(Rho)z 0.6138941E-17 Laplacian 0.1780746E-01 (-1/4)Del**2(Rho)) -0.4451864E-02 Diamond 0.1243001E-03 Metallicity 0.4493028E+00 Ellipticity -0.3922269E+00 Gb(Abramov) 0.3301282E-02 Vb(Abramov) -0.2150700E-02 Hb(Abramov) 0.1150582E-02 Ex_ueg -0.5251387E-03 Ec_ueg -0.1192317E-03 Delta_ex -0.6160395E-03 Delta_ec 0.1210587E-03 Delta_et -0.8107277E-03 Pxc 0.4404354E+01 Qxc -0.5088766E+01 3,+3 112 3 +3 -0.823968 -1.791015 0.013664 Rho 0.4016515E-02 |GRAD(Rho)| 0.2865099E-17 GRAD(Rho)x -0.8783732E-18 GRAD(Rho)y -0.2727023E-17 GRAD(Rho)z 0.2456396E-19 Laplacian 0.1611008E-01 (-1/4)Del**2(Rho)) -0.4027521E-02 Diamond 0.1543100E-03 Metallicity 0.4341078E+00 Ellipticity -0.8453442E+00 Gb(Abramov) 0.2976410E-02 Vb(Abramov) -0.1925300E-02 Hb(Abramov) 0.1051111E-02 Ex_ueg -0.4715389E-03 Ec_ueg -0.1048381E-03 Delta_ex -0.6121757E-03 Delta_ec 0.2284067E-03 Delta_et -0.1276126E-02 Pxc 0.4497783E+01 Qxc -0.2680201E+01 3,+3 113 3 +1 0.288552 -1.362438 2.337126 Rho 0.2544559E-01 |GRAD(Rho)| 0.3072746E-14 GRAD(Rho)x -0.5571927E-15 GRAD(Rho)y -0.1604100E-14 GRAD(Rho)z 0.2560892E-14 Laplacian 0.1026362E+00 (-1/4)Del**2(Rho)) -0.2565905E-01 Diamond 0.1511711E-01 Metallicity 0.1477975E+01 Ellipticity -0.7144080E+01 Gb(Abramov) 0.2342660E-01 Vb(Abramov) -0.2119415E-01 Hb(Abramov) 0.2232445E-02 Ex_ueg -0.5527582E-02 Ec_ueg -0.1111175E-02 Delta_ex -0.6558200E-02 Delta_ec 0.1999785E-02 Delta_et -0.1767220E-01 Pxc 0.4974537E+01 Qxc -0.3279452E+01 3,+1 114 3 -1 1.876450 3.048886 -0.703867 Rho 0.1286028E+00 |GRAD(Rho)| 0.4088685E-15 GRAD(Rho)x -0.1629014E-15 GRAD(Rho)y 0.1563691E-15 GRAD(Rho)z -0.3408596E-15 Laplacian 0.5124574E+00 (-1/4)Del**2(Rho)) -0.1281143E+00 Diamond 0.8645332E+00 Metallicity 0.4405947E+01 Ellipticity 0.3124168E-01 Gb(Abramov) 0.1794871E+00 Vb(Abramov) -0.2308598E+00 Hb(Abramov) -0.5137271E-01 Ex_ueg -0.4794229E-01 Ec_ueg -0.7088202E-02 Delta_ex -0.5302704E-01 Delta_ec 0.1352735E-01 Delta_et -0.1759710E+00 Pxc 0.6763675E+01 Qxc -0.3919988E+01 3,-1 115 3 -1 1.875092 3.055856 0.711168 Rho 0.1336370E+00 |GRAD(Rho)| 0.4144964E-15 GRAD(Rho)x 0.3158823E-15 GRAD(Rho)y -0.1212341E-15 GRAD(Rho)z -0.2394325E-15 Laplacian 0.5313473E+00 (-1/4)Del**2(Rho)) -0.1328368E+00 Diamond 0.9395923E+00 Metallicity 0.4530151E+01 Ellipticity 0.3781704E-01 Gb(Abramov) 0.1888530E+00 Vb(Abramov) -0.2448692E+00 Hb(Abramov) -0.5601621E-01 Ex_ueg -0.5046080E-01 Ec_ueg -0.7404427E-02 Delta_ex -0.5550343E-01 Delta_ec 0.1391569E-01 Delta_et -0.1821836E+00 Pxc 0.6814950E+01 Qxc -0.3988549E+01 3,-1 116 3 -1 3.230366 3.138081 0.012391 Rho 0.2398873E+00 |GRAD(Rho)| 0.3751767E-14 GRAD(Rho)x -0.1432448E-14 GRAD(Rho)y 0.3310557E-14 GRAD(Rho)z -0.1031534E-14 Laplacian 0.8799474E+00 (-1/4)Del**2(Rho)) -0.2199869E+00 Diamond 0.3105821E+01 Metallicity 0.7252735E+01 Ellipticity 0.2405344E-02 Gb(Abramov) 0.4125757E+00 Vb(Abramov) -0.6051645E+00 Hb(Abramov) -0.1925888E+00 Ex_ueg -0.1100850E+00 Ec_ueg -0.1443132E-01 Delta_ex -0.1062783E+00 Delta_ec 0.1939829E-01 Delta_et -0.2685052E+00 Pxc 0.7628197E+01 Qxc -0.5478746E+01 3,-1 117 3 +1 1.523983 -1.410014 -1.650233 Rho 0.2172027E-01 |GRAD(Rho)| 0.1310572E-12 GRAD(Rho)x 0.1120711E-12 GRAD(Rho)y -0.6793040E-13 GRAD(Rho)z -0.1233074E-14 Laplacian 0.8199606E-01 (-1/4)Del**2(Rho)) -0.2049901E-01 Diamond 0.8993173E-02 Metallicity 0.1421004E+01 Ellipticity -0.3732483E+01 Gb(Abramov) 0.1852087E-01 Vb(Abramov) -0.1654273E-01 Hb(Abramov) 0.1978140E-02 Ex_ueg -0.4475813E-02 Ec_ueg -0.9250462E-03 Delta_ex -0.4932945E-02 Delta_ec 0.1427780E-02 Delta_et -0.1216089E-01 Pxc 0.4838475E+01 Qxc -0.3454976E+01 3,+1 118 3 +1 1.374203 -1.561307 1.654796 Rho 0.2149095E-01 |GRAD(Rho)| 0.4583445E-16 GRAD(Rho)x -0.3573908E-16 GRAD(Rho)y 0.2453455E-16 GRAD(Rho)z -0.1488525E-16 Laplacian 0.8227072E-01 (-1/4)Del**2(Rho)) -0.2056768E-01 Diamond 0.9313227E-02 Metallicity 0.1391428E+01 Ellipticity -0.4505633E+01 Gb(Abramov) 0.1848153E-01 Vb(Abramov) -0.1639537E-01 Hb(Abramov) 0.2086154E-02 Ex_ueg -0.4412919E-02 Ec_ueg -0.9137159E-03 Delta_ex -0.4991535E-02 Delta_ec 0.1532335E-02 Delta_et -0.1298446E-01 Pxc 0.4829640E+01 Qxc -0.3257471E+01 3,+1 119 3 +3 -1.455981 1.994920 -0.002271 Rho 0.6700106E-02 |GRAD(Rho)| 0.1082739E-16 GRAD(Rho)x -0.5841395E-18 GRAD(Rho)y -0.5540008E-17 GRAD(Rho)z 0.9284362E-17 Laplacian 0.2911893E-01 (-1/4)Del**2(Rho)) -0.7279733E-02 Diamond 0.3959578E-03 Metallicity 0.5635172E+00 Ellipticity -0.6034007E+00 Gb(Abramov) 0.5536865E-02 Vb(Abramov) -0.3793996E-02 Hb(Abramov) 0.1742869E-02 Ex_ueg -0.9328833E-03 Ec_ueg -0.2207933E-03 Delta_ex -0.1149840E-02 Delta_ec 0.2314344E-03 Delta_et -0.1636988E-02 Pxc 0.4225143E+01 Qxc -0.4968317E+01 3,+3 120 3 +3 -0.961349 0.669033 -1.726226 Rho 0.4694606E-02 |GRAD(Rho)| 0.9688041E-14 GRAD(Rho)x 0.2409585E-14 GRAD(Rho)y -0.2552939E-15 GRAD(Rho)z 0.9380131E-14 Laplacian 0.1900807E-01 (-1/4)Del**2(Rho)) -0.4752018E-02 Diamond 0.1409861E-03 Metallicity 0.4771705E+00 Ellipticity -0.5298780E+00 Gb(Abramov) 0.3545933E-02 Vb(Abramov) -0.2339847E-02 Hb(Abramov) 0.1206086E-02 Ex_ueg -0.5805646E-03 Ec_ueg -0.1337942E-03 Delta_ex -0.6647594E-03 Delta_ec 0.1183878E-03 Delta_et -0.8262657E-03 Pxc 0.4339236E+01 Qxc -0.5615098E+01 3,+3 121 3 -1 -1.354146 2.587991 -1.616184 Rho 0.1510587E+00 |GRAD(Rho)| 0.3966828E-15 GRAD(Rho)x 0.3700111E-15 GRAD(Rho)y 0.1304702E-15 GRAD(Rho)z -0.5853675E-16 Laplacian 0.5766140E+00 (-1/4)Del**2(Rho)) -0.1441535E+00 Diamond 0.1196013E+01 Metallicity 0.5120405E+01 Ellipticity 0.9531475E-01 Gb(Abramov) 0.2191231E+00 Vb(Abramov) -0.2940926E+00 Hb(Abramov) -0.7496955E-01 Ex_ueg -0.5941728E-01 Ec_ueg -0.8511322E-02 Delta_ex -0.6220372E-01 Delta_ec 0.1491441E-01 Delta_et -0.1994561E+00 Pxc 0.6980970E+01 Qxc -0.4170711E+01 3,-1 122 3 -1 -0.727349 3.811431 -2.299193 Rho 0.2414151E+00 |GRAD(Rho)| 0.2653660E-12 GRAD(Rho)x 0.6774439E-13 GRAD(Rho)y -0.1970459E-12 GRAD(Rho)z 0.1643250E-12 Laplacian 0.8862615E+00 (-1/4)Del**2(Rho)) -0.2215654E+00 Diamond 0.3148192E+01 Metallicity 0.7277665E+01 Ellipticity 0.4204476E-02 Gb(Abramov) 0.4164567E+00 Vb(Abramov) -0.6113480E+00 Hb(Abramov) -0.1948913E+00 Ex_ueg -0.1110208E+00 Ec_ueg -0.1453699E-01 Delta_ex -0.1071980E+00 Delta_ec 0.1946377E-01 Delta_et -0.2693024E+00 Pxc 0.7637123E+01 Qxc -0.5507566E+01 3,-1 123 3 -1 -0.730859 3.806030 2.301818 Rho 0.2416107E+00 |GRAD(Rho)| 0.1332891E-15 GRAD(Rho)x -0.5857402E-16 GRAD(Rho)y 0.8608565E-16 GRAD(Rho)z -0.8321252E-16 Laplacian 0.8876552E+00 (-1/4)Del**2(Rho)) -0.2219138E+00 Diamond 0.3155157E+01 Metallicity 0.7276052E+01 Ellipticity 0.5067060E-02 Gb(Abramov) 0.4170519E+00 Vb(Abramov) -0.6121901E+00 Hb(Abramov) -0.1951381E+00 Ex_ueg -0.1111407E+00 Ec_ueg -0.1455053E-01 Delta_ex -0.1073837E+00 Delta_ec 0.1947968E-01 Delta_et -0.2694844E+00 Pxc 0.7638262E+01 Qxc -0.5512602E+01 3,-1 124 3 -1 -0.675647 3.536426 0.799768 Rho 0.1359855E+00 |GRAD(Rho)| 0.1413493E-15 GRAD(Rho)x 0.6437450E-17 GRAD(Rho)y 0.1410954E-15 GRAD(Rho)z 0.5502326E-17 Laplacian 0.5359425E+00 (-1/4)Del**2(Rho)) -0.1339856E+00 Diamond 0.9670593E+00 Metallicity 0.4623624E+01 Ellipticity 0.3209416E-01 Gb(Abramov) 0.1925736E+00 Vb(Abramov) -0.2511616E+00 Hb(Abramov) -0.5858799E-01 Ex_ueg -0.5164661E-01 Ec_ueg -0.7552512E-02 Delta_ex -0.5621208E-01 Delta_ec 0.1396304E-01 Delta_et -0.1832771E+00 Pxc 0.6838335E+01 Qxc -0.4025778E+01 3,-1 125 3 -1 0.050072 -1.137136 3.516084 Rho 0.1344981E+00 |GRAD(Rho)| 0.5146850E-15 GRAD(Rho)x -0.6072887E-16 GRAD(Rho)y 0.5109574E-15 GRAD(Rho)z 0.1162807E-16 Laplacian 0.5231163E+00 (-1/4)Del**2(Rho)) -0.1307791E+00 Diamond 0.9410610E+00 Metallicity 0.4650950E+01 Ellipticity 0.2873681E-01 Gb(Abramov) 0.1885605E+00 Vb(Abramov) -0.2463420E+00 Hb(Abramov) -0.5778146E-01 Ex_ueg -0.5089477E-01 Ec_ueg -0.7458679E-02 Delta_ex -0.5483066E-01 Delta_ec 0.1386120E-01 Delta_et -0.1820111E+00 Pxc 0.6823563E+01 Qxc -0.3955693E+01 3,-1 126 3 -1 0.291984 -2.513061 2.708750 Rho 0.1440049E+00 |GRAD(Rho)| 0.1271942E-15 GRAD(Rho)x 0.4342907E-16 GRAD(Rho)y 0.9662952E-16 GRAD(Rho)z -0.7039183E-16 Laplacian 0.5694048E+00 (-1/4)Del**2(Rho)) -0.1423512E+00 Diamond 0.1104728E+01 Metallicity 0.4788003E+01 Ellipticity 0.4353434E-01 Gb(Abramov) 0.2084971E+00 Vb(Abramov) -0.2746431E+00 Hb(Abramov) -0.6614592E-01 Ex_ueg -0.5574702E-01 Ec_ueg -0.8060856E-02 Delta_ex -0.6060341E-01 Delta_ec 0.1470599E-01 Delta_et -0.1948753E+00 Pxc 0.6915769E+01 Qxc -0.4121001E+01 3,-1 127 3 -1 0.706377 -3.921310 -2.228263 Rho 0.2389484E+00 |GRAD(Rho)| 0.9587576E-14 GRAD(Rho)x -0.1026279E-14 GRAD(Rho)y 0.8783339E-14 GRAD(Rho)z 0.3704231E-14 Laplacian 0.8696775E+00 (-1/4)Del**2(Rho)) -0.2174194E+00 Diamond 0.3061028E+01 Metallicity 0.7290574E+01 Ellipticity 0.2533723E-02 Gb(Abramov) 0.4091316E+00 Vb(Abramov) -0.6008438E+00 Hb(Abramov) -0.1917122E+00 Ex_ueg -0.1095108E+00 Ec_ueg -0.1436645E-01 Delta_ex -0.1049620E+00 Delta_ec 0.1925070E-01 Delta_et -0.2666757E+00 Pxc 0.7622681E+01 Qxc -0.5452375E+01 3,-1 128 3 +3 1.248389 -1.307198 2.546871 Rho 0.1155801E-01 |GRAD(Rho)| 0.1201908E-16 GRAD(Rho)x 0.1603139E-17 GRAD(Rho)y -0.2975114E-17 GRAD(Rho)z 0.1153416E-16 Laplacian 0.5181997E-01 (-1/4)Del**2(Rho)) -0.1295499E-01 Diamond 0.1021783E-02 Metallicity 0.7856964E+00 Ellipticity -0.4660165E+00 Gb(Abramov) 0.1033311E-01 Vb(Abramov) -0.7711228E-02 Hb(Abramov) 0.2621882E-02 Ex_ueg -0.1930024E-02 Ec_ueg -0.4392041E-03 Delta_ex -0.2233355E-02 Delta_ec 0.1570463E-03 Delta_et -0.1570762E-02 Pxc 0.4394368E+01 Qxc -0.1422100E+02 3,+3 129 3 +3 1.240502 -1.289187 -2.550854 Rho 0.1146436E-01 |GRAD(Rho)| 0.7992980E-17 GRAD(Rho)x -0.2070546E-17 GRAD(Rho)y 0.6384431E-17 GRAD(Rho)z 0.4340462E-17 Laplacian 0.5133154E-01 (-1/4)Del**2(Rho)) -0.1283289E-01 Diamond 0.1006119E-02 Metallicity 0.7824899E+00 Ellipticity -0.4269933E+00 Gb(Abramov) 0.1022886E-01 Vb(Abramov) -0.7624829E-02 Hb(Abramov) 0.2604028E-02 Ex_ueg -0.1909201E-02 Ec_ueg -0.4348989E-03 Delta_ex -0.2208647E-02 Delta_ec 0.1585662E-03 Delta_et -0.1575156E-02 Pxc 0.4389988E+01 Qxc -0.1392886E+02 3,+3 130 3 -1 -1.363285 2.591737 1.611858 Rho 0.1517511E+00 |GRAD(Rho)| 0.4152058E-15 GRAD(Rho)x 0.3141205E-15 GRAD(Rho)y 0.2662801E-15 GRAD(Rho)z 0.5309541E-16 Laplacian 0.5778090E+00 (-1/4)Del**2(Rho)) -0.1444522E+00 Diamond 0.1206219E+01 Metallicity 0.5148911E+01 Ellipticity 0.9762502E-01 Gb(Abramov) 0.2202635E+00 Vb(Abramov) -0.2960747E+00 Hb(Abramov) -0.7581120E-01 Ex_ueg -0.5978069E-01 Ec_ueg -0.8555705E-02 Delta_ex -0.6241357E-01 Delta_ec 0.1494819E-01 Delta_et -0.2000836E+00 Pxc 0.6987231E+01 Qxc -0.4175325E+01 3,-1 131 3 -1 0.016690 0.621485 0.002545 Rho 0.1833984E+00 |GRAD(Rho)| 0.6924374E-14 GRAD(Rho)x -0.1869535E-14 GRAD(Rho)y -0.6621329E-14 GRAD(Rho)z 0.7809004E-15 Laplacian 0.5396071E+00 (-1/4)Del**2(Rho)) -0.1349018E+00 Diamond 0.1548311E+01 Metallicity 0.7560107E+01 Ellipticity 0.3655496E-02 Gb(Abramov) 0.2599132E+00 Vb(Abramov) -0.3849246E+00 Hb(Abramov) -0.1250114E+00 Ex_ueg -0.7695657E-01 Ec_ueg -0.1061478E-01 Delta_ex -0.6211401E-01 Delta_ec 0.1512818E-01 Delta_et -0.2128412E+00 Pxc 0.7249945E+01 Qxc -0.4105847E+01 3,-1 132 3 -1 0.176935 -0.364263 -2.387695 Rho 0.3639684E-01 |GRAD(Rho)| 0.6052254E-16 GRAD(Rho)x 0.1272577E-16 GRAD(Rho)y -0.1986864E-16 GRAD(Rho)z 0.5573392E-16 Laplacian 0.1431646E+00 (-1/4)Del**2(Rho)) -0.3579116E-01 Diamond 0.4869257E-01 Metallicity 0.1924052E+01 Ellipticity 0.1307575E-01 Gb(Abramov) 0.3533812E-01 Vb(Abramov) -0.3488507E-01 Hb(Abramov) 0.4530437E-03 Ex_ueg -0.8908473E-02 Ec_ueg -0.1678044E-02 Delta_ex -0.1099178E-01 Delta_ec 0.4458740E-02 Delta_et -0.4320229E-01 Pxc 0.5308844E+01 Qxc -0.2465221E+01 3,-1 133 3 -1 0.100458 -0.266015 -0.507608 Rho 0.1952466E+00 |GRAD(Rho)| 0.1766135E-12 GRAD(Rho)x -0.8563206E-13 GRAD(Rho)y 0.6950948E-13 GRAD(Rho)z 0.1379417E-12 Laplacian 0.6425915E+00 (-1/4)Del**2(Rho)) -0.1606479E+00 Diamond 0.1974262E+01 Metallicity 0.7046672E+01 Ellipticity 0.9390655E-02 Gb(Abramov) 0.2957707E+00 Vb(Abramov) -0.4308936E+00 Hb(Abramov) -0.1351229E+00 Ex_ueg -0.8365587E-01 Ec_ueg -0.1140055E-01 Delta_ex -0.7502138E-01 Delta_ec 0.1756750E-01 Delta_et -0.2488309E+00 Pxc 0.7337880E+01 Qxc -0.4270464E+01 3,-1 134 3 -1 0.087058 -0.266459 0.518164 Rho 0.1932035E+00 |GRAD(Rho)| 0.2724683E-15 GRAD(Rho)x 0.2698406E-15 GRAD(Rho)y -0.3255765E-16 GRAD(Rho)z 0.1910515E-16 Laplacian 0.6244790E+00 (-1/4)Del**2(Rho)) -0.1561198E+00 Diamond 0.1900039E+01 Metallicity 0.7125031E+01 Ellipticity 0.1044225E-01 Gb(Abramov) 0.2894729E+00 Vb(Abramov) -0.4228260E+00 Hb(Abramov) -0.1333531E+00 Ex_ueg -0.8249068E-01 Ec_ueg -0.1126448E-01 Delta_ex -0.7275657E-01 Delta_ec 0.1718769E-01 Delta_et -0.2433126E+00 Pxc 0.7323078E+01 Qxc -0.4233061E+01 3,-1 135 3 -1 0.177413 -0.375761 2.390852 Rho 0.4201552E-01 |GRAD(Rho)| 0.1282037E-13 GRAD(Rho)x -0.1080754E-13 GRAD(Rho)y 0.1326739E-14 GRAD(Rho)z 0.6767476E-14 Laplacian 0.1614643E+00 (-1/4)Del**2(Rho)) -0.4036608E-01 Diamond 0.6456210E-01 Metallicity 0.2167135E+01 Ellipticity 0.9431750E-02 Gb(Abramov) 0.4149052E-01 Vb(Abramov) -0.4261495E-01 Hb(Abramov) -0.1124434E-02 Ex_ueg -0.1078776E-01 Ec_ueg -0.1978524E-02 Delta_ex -0.1272183E-01 Delta_ec 0.4812396E-02 Delta_et -0.4846224E-01 Pxc 0.5452430E+01 Qxc -0.2643555E+01 3,-1 136 3 -1 -0.133323 0.013068 -4.525755 Rho 0.2217298E+00 |GRAD(Rho)| 0.1491368E-13 GRAD(Rho)x 0.1266200E-15 GRAD(Rho)y -0.1700300E-14 GRAD(Rho)z 0.1481589E-13 Laplacian 0.8053528E+00 (-1/4)Del**2(Rho)) -0.2013382E+00 Diamond 0.2601246E+01 Metallicity 0.6950249E+01 Ellipticity 0.1583318E-01 Gb(Abramov) 0.3674506E+00 Vb(Abramov) -0.5335629E+00 Hb(Abramov) -0.1661124E+00 Ex_ueg -0.9911752E-01 Ec_ueg -0.1318530E-01 Delta_ex -0.9539005E-01 Delta_ec 0.1833020E-01 Delta_et -0.2535099E+00 Pxc 0.7517277E+01 Qxc -0.5203982E+01 3,-1 137 3 -1 1.011937 -0.103589 3.467828 Rho 0.9032458E-01 |GRAD(Rho)| 0.7354913E-13 GRAD(Rho)x -0.3643333E-13 GRAD(Rho)y -0.6386718E-13 GRAD(Rho)z 0.1752219E-14 Laplacian 0.3663182E+00 (-1/4)Del**2(Rho)) -0.9157956E-01 Diamond 0.3996718E+00 Metallicity 0.3420566E+01 Ellipticity 0.2924079E-02 Gb(Abramov) 0.1132620E+00 Vb(Abramov) -0.1349445E+00 Hb(Abramov) -0.2168246E-01 Ex_ueg -0.2993135E-01 Ec_ueg -0.4742777E-02 Delta_ex -0.3480480E-01 Delta_ec 0.1032948E-01 Delta_et -0.1255523E+00 Pxc 0.6310934E+01 Qxc -0.3369464E+01 3,-1 138 3 -1 2.450242 -0.337663 -2.704546 Rho 0.1798898E+00 |GRAD(Rho)| 0.3669227E-15 GRAD(Rho)x -0.3122773E-15 GRAD(Rho)y -0.1317306E-16 GRAD(Rho)z -0.1922019E-15 Laplacian 0.7075057E+00 (-1/4)Del**2(Rho)) -0.1768764E+00 Diamond 0.1774273E+01 Metallicity 0.5583340E+01 Ellipticity 0.4696713E-01 Gb(Abramov) 0.2825111E+00 Vb(Abramov) -0.3881459E+00 Hb(Abramov) -0.1056347E+00 Ex_ueg -0.7499985E-01 Ec_ueg -0.1038362E-01 Delta_ex -0.7942107E-01 Delta_ec 0.1700899E-01 Delta_et -0.2311447E+00 Pxc 0.7222898E+01 Qxc -0.4669359E+01 3,-1 139 3 -1 3.112547 -0.729884 -0.897868 Rho 0.1418838E+00 |GRAD(Rho)| 0.4377836E-15 GRAD(Rho)x -0.3913970E-16 GRAD(Rho)y 0.8081033E-16 GRAD(Rho)z -0.4284767E-15 Laplacian 0.6038519E+00 (-1/4)Del**2(Rho)) -0.1509630E+00 Diamond 0.1142624E+01 Metallicity 0.4404576E+01 Ellipticity 0.7526072E-02 Gb(Abramov) 0.2114633E+00 Vb(Abramov) -0.2719636E+00 Hb(Abramov) -0.6050033E-01 Ex_ueg -0.5465487E-01 Ec_ueg -0.7926003E-02 Delta_ex -0.6394920E-01 Delta_ec 0.1549448E-01 Delta_et -0.2045374E+00 Pxc 0.6895641E+01 Qxc -0.4127226E+01 3,-1 140 3 -1 3.106282 -0.768606 0.879656 Rho 0.1355369E+00 |GRAD(Rho)| 0.5300875E-13 GRAD(Rho)x -0.1649694E-13 GRAD(Rho)y -0.3731649E-13 GRAD(Rho)z 0.3384166E-13 Laplacian 0.5710152E+00 (-1/4)Del**2(Rho)) -0.1427538E+00 Diamond 0.1027610E+01 Metallicity 0.4315798E+01 Ellipticity 0.1368409E-01 Gb(Abramov) 0.1978520E+00 Vb(Abramov) -0.2529502E+00 Hb(Abramov) -0.5509817E-01 Ex_ueg -0.5141955E-01 Ec_ueg -0.7524195E-02 Delta_ex -0.5985808E-01 Delta_ec 0.1491610E-01 Delta_et -0.1957402E+00 Pxc 0.6833893E+01 Qxc -0.4012985E+01 3,-1 141 3 -1 2.451105 -0.348268 2.688367 Rho 0.1778399E+00 |GRAD(Rho)| 0.4819322E-14 GRAD(Rho)x 0.1752152E-14 GRAD(Rho)y -0.1789977E-14 GRAD(Rho)z -0.4117258E-14 Laplacian 0.6936940E+00 (-1/4)Del**2(Rho)) -0.1734235E+00 Diamond 0.1721479E+01 Metallicity 0.5586769E+01 Ellipticity 0.3997817E-01 Gb(Abramov) 0.2770952E+00 Vb(Abramov) -0.3807669E+00 Hb(Abramov) -0.1036717E+00 Ex_ueg -0.7386252E-01 Ec_ueg -0.1024890E-01 Delta_ex -0.7769087E-01 Delta_ec 0.1680711E-01 Delta_et -0.2283646E+00 Pxc 0.7206874E+01 Qxc -0.4622500E+01 3,-1 142 3 -1 3.867656 -0.690748 2.228545 Rho 0.2369943E+00 |GRAD(Rho)| 0.4625022E-13 GRAD(Rho)x -0.3229632E-13 GRAD(Rho)y 0.2391925E-13 GRAD(Rho)z -0.2288886E-13 Laplacian 0.8527444E+00 (-1/4)Del**2(Rho)) -0.2131861E+00 Diamond 0.2980639E+01 Metallicity 0.7334280E+01 Ellipticity 0.4203795E-02 Gb(Abramov) 0.4027185E+00 Vb(Abramov) -0.5922509E+00 Hb(Abramov) -0.1895324E+00 Ex_ueg -0.1083184E+00 Ec_ueg -0.1423159E-01 Delta_ex -0.1027453E+00 Delta_ec 0.1900602E-01 Delta_et -0.2635733E+00 Pxc 0.7611127E+01 Qxc -0.5405936E+01 3,-1 143 3 -1 -0.026455 0.872795 -3.252970 Rho 0.1278790E+00 |GRAD(Rho)| 0.1429969E-14 GRAD(Rho)x 0.1050483E-14 GRAD(Rho)y 0.9177229E-15 GRAD(Rho)z 0.3147710E-15 Laplacian 0.5235351E+00 (-1/4)Del**2(Rho)) -0.1308838E+00 Diamond 0.8724913E+00 Metallicity 0.4272344E+01 Ellipticity 0.6236463E-02 Gb(Abramov) 0.1804526E+00 Vb(Abramov) -0.2300214E+00 Hb(Abramov) -0.4956882E-01 Ex_ueg -0.4758289E-01 Ec_ueg -0.7042879E-02 Delta_ex -0.5404117E-01 Delta_ec 0.1373358E-01 Delta_et -0.1782977E+00 Pxc 0.6756170E+01 Qxc -0.3934967E+01 3,-1 144 3 +3 0.551965 3.151836 0.000282 Rho 0.1252307E-01 |GRAD(Rho)| 0.1477743E-16 GRAD(Rho)x -0.1326786E-16 GRAD(Rho)y 0.6147901E-17 GRAD(Rho)z -0.2130633E-17 Laplacian 0.5762525E-01 (-1/4)Del**2(Rho)) -0.1440631E-01 Diamond 0.1311088E-02 Metallicity 0.8075793E+00 Ellipticity -0.6864395E+00 Gb(Abramov) 0.1154325E-01 Vb(Abramov) -0.8680184E-02 Hb(Abramov) 0.2863064E-02 Ex_ueg -0.2147828E-02 Ec_ueg -0.4837694E-03 Delta_ex -0.2554209E-02 Delta_ec 0.1937150E-03 Delta_et -0.1883757E-02 Pxc 0.4439777E+01 Qxc -0.1318540E+02 3,+3 145 3 -1 2.710084 1.875607 0.690850 Rho 0.1685757E+00 |GRAD(Rho)| 0.2535941E-13 GRAD(Rho)x 0.1999759E-13 GRAD(Rho)y -0.1554944E-13 GRAD(Rho)z -0.1187743E-14 Laplacian 0.7059413E+00 (-1/4)Del**2(Rho)) -0.1764853E+00 Diamond 0.1632973E+01 Metallicity 0.5021533E+01 Ellipticity 0.2948631E-01 Gb(Abramov) 0.2653614E+00 Vb(Abramov) -0.3542375E+00 Hb(Abramov) -0.8887606E-01 Ex_ueg -0.6877731E-01 Ec_ueg -0.9643048E-02 Delta_ex -0.7792550E-01 Delta_ec 0.1719317E-01 Delta_et -0.2318035E+00 Pxc 0.7132320E+01 Qxc -0.4532351E+01 3,-1 146 3 -1 2.712376 1.894254 -0.708234 Rho 0.1531204E+00 |GRAD(Rho)| 0.5218197E-13 GRAD(Rho)x 0.3169288E-13 GRAD(Rho)y -0.3967166E-13 GRAD(Rho)z 0.1202822E-13 Laplacian 0.6397465E+00 (-1/4)Del**2(Rho)) -0.1599366E+00 Diamond 0.1328967E+01 Metallicity 0.4720560E+01 Ellipticity 0.1742600E-01 Gb(Abramov) 0.2324562E+00 Vb(Abramov) -0.3049757E+00 Hb(Abramov) -0.7251953E-01 Ex_ueg -0.6050097E-01 Ec_ueg -0.8643561E-02 Delta_ex -0.6905242E-01 Delta_ec 0.1614986E-01 Delta_et -0.2155978E+00 Pxc 0.6999542E+01 Qxc -0.4275729E+01 3,-1 147 3 -1 0.503820 3.301630 -1.510578 Rho 0.1484192E+00 |GRAD(Rho)| 0.2878207E-13 GRAD(Rho)x -0.1684297E-13 GRAD(Rho)y 0.1591753E-13 GRAD(Rho)z -0.1706910E-13 Laplacian 0.5850555E+00 (-1/4)Del**2(Rho)) -0.1462639E+00 Diamond 0.1172231E+01 Metallicity 0.4900416E+01 Ellipticity 0.3324518E-01 Gb(Abramov) 0.2169682E+00 Vb(Abramov) -0.2876726E+00 Hb(Abramov) -0.7070435E-01 Ex_ueg -0.5803704E-01 Ec_ueg -0.8342398E-02 Delta_ex -0.6268238E-01 Delta_ec 0.1491225E-01 Delta_et -0.1982831E+00 Pxc 0.6956877E+01 Qxc -0.4203415E+01 3,-1 148 3 -1 0.500510 3.302942 1.509967 Rho 0.1447510E+00 |GRAD(Rho)| 0.3188854E-15 GRAD(Rho)x 0.2756042E-15 GRAD(Rho)y 0.1201398E-15 GRAD(Rho)z -0.1062857E-15 Laplacian 0.5716677E+00 (-1/4)Del**2(Rho)) -0.1429169E+00 Diamond 0.1112035E+01 Metallicity 0.4810300E+01 Ellipticity 0.3190645E-01 Gb(Abramov) 0.2098568E+00 Vb(Abramov) -0.2767967E+00 Hb(Abramov) -0.6693990E-01 Ex_ueg -0.5613243E-01 Ec_ueg -0.8108354E-02 Delta_ex -0.6087941E-01 Delta_ec 0.1467139E-01 Delta_et -0.1944033E+00 Pxc 0.6922790E+01 Qxc -0.4149533E+01 3,-1 149 3 +1 0.252182 -1.147889 -2.444293 Rho 0.2368699E-01 |GRAD(Rho)| 0.3844128E-14 GRAD(Rho)x -0.9029397E-15 GRAD(Rho)y 0.1284359E-14 GRAD(Rho)z -0.3508909E-14 Laplacian 0.9299084E-01 (-1/4)Del**2(Rho)) -0.2324771E-01 Diamond 0.1120651E-01 Metallicity 0.1447736E+01 Ellipticity -0.3149988E+01 Gb(Abramov) 0.2110790E-01 Vb(Abramov) -0.1896808E-01 Hb(Abramov) 0.2139813E-02 Ex_ueg -0.5024175E-02 Ec_ueg -0.1022836E-02 Delta_ex -0.5690976E-02 Delta_ec 0.1560210E-02 Delta_et -0.1359575E-01 Pxc 0.4912006E+01 Qxc -0.3647570E+01 3,+1 150 3 -1 -0.674585 3.541461 -0.799551 Rho 0.1415119E+00 |GRAD(Rho)| 0.4052589E-15 GRAD(Rho)x -0.2783011E-16 GRAD(Rho)y 0.2398797E-15 GRAD(Rho)z 0.3254504E-15 Laplacian 0.5571757E+00 (-1/4)Del**2(Rho)) -0.1392939E+00 Diamond 0.1055337E+01 Metallicity 0.4752722E+01 Ellipticity 0.3502646E-01 Gb(Abramov) 0.2032002E+00 Vb(Abramov) -0.2671064E+00 Hb(Abramov) -0.6390623E-01 Ex_ueg -0.5446391E-01 Ec_ueg -0.7902384E-02 Delta_ex -0.5901517E-01 Delta_ec 0.1438966E-01 Delta_et -0.1900569E+00 Pxc 0.6892086E+01 Qxc -0.4101221E+01 3,-1 151 3 -1 -0.084827 0.016974 4.533903 Rho 0.2321536E+00 |GRAD(Rho)| 0.5284702E-14 GRAD(Rho)x -0.3502380E-15 GRAD(Rho)y -0.4010545E-14 GRAD(Rho)z 0.3423585E-14 Laplacian 0.8538873E+00 (-1/4)Del**2(Rho)) -0.2134718E+00 Diamond 0.2902327E+01 Metallicity 0.7076823E+01 Ellipticity 0.1783515E-01 Gb(Abramov) 0.3940982E+00 Vb(Abramov) -0.5747247E+00 Hb(Abramov) -0.1806264E+00 Ex_ueg -0.1053786E+00 Ec_ueg -0.1389840E-01 Delta_ex -0.1022813E+00 Delta_ec 0.1905633E-01 Delta_et -0.2636594E+00 Pxc 0.7582064E+01 Qxc -0.5367313E+01 3,-1 152 3 -1 -0.012380 0.869013 3.241852 Rho 0.1296965E+00 |GRAD(Rho)| 0.8512244E-13 GRAD(Rho)x -0.6611775E-14 GRAD(Rho)y -0.7770255E-13 GRAD(Rho)z 0.3412372E-13 Laplacian 0.5368558E+00 (-1/4)Del**2(Rho)) -0.1342139E+00 Diamond 0.9232148E+00 Metallicity 0.4265494E+01 Ellipticity 0.3165660E-02 Gb(Abramov) 0.1848907E+00 Vb(Abramov) -0.2355676E+00 Hb(Abramov) -0.5067681E-01 Ex_ueg -0.4848671E-01 Ec_ueg -0.7156762E-02 Delta_ex -0.5576492E-01 Delta_ec 0.1432111E-01 Delta_et -0.1868855E+00 Pxc 0.6774951E+01 Qxc -0.3893897E+01 3,-1 153 3 -1 1.565109 -2.692680 -1.966130 Rho 0.1366468E+00 |GRAD(Rho)| 0.2226938E-15 GRAD(Rho)x 0.2073808E-15 GRAD(Rho)y -0.3058805E-16 GRAD(Rho)z -0.7516740E-16 Laplacian 0.5527371E+00 (-1/4)Del**2(Rho)) -0.1381843E+00 Diamond 0.1001605E+01 Metallicity 0.4519534E+01 Ellipticity 0.3130720E-01 Gb(Abramov) 0.1962109E+00 Vb(Abramov) -0.2542376E+00 Hb(Abramov) -0.5802666E-01 Ex_ueg -0.5198176E-01 Ec_ueg -0.7594276E-02 Delta_ex -0.5802391E-01 Delta_ec 0.1435174E-01 Delta_et -0.1884571E+00 Pxc 0.6844861E+01 Qxc -0.4042989E+01 3,-1 154 3 -1 2.679952 -1.536559 -1.982598 Rho 0.1455747E+00 |GRAD(Rho)| 0.3907356E-15 GRAD(Rho)x 0.2602695E-15 GRAD(Rho)y 0.2407742E-15 GRAD(Rho)z 0.1642007E-15 Laplacian 0.5765425E+00 (-1/4)Del**2(Rho)) -0.1441356E+00 Diamond 0.1134294E+01 Metallicity 0.4814951E+01 Ellipticity 0.2825129E-01 Gb(Abramov) 0.2117581E+00 Vb(Abramov) -0.2793805E+00 Hb(Abramov) -0.6762244E-01 Ex_ueg -0.5655874E-01 Ec_ueg -0.8160837E-02 Delta_ex -0.6153676E-01 Delta_ec 0.1487038E-01 Delta_et -0.1974107E+00 Pxc 0.6930507E+01 Qxc -0.4138211E+01 3,-1 155 3 -1 3.876988 -0.618818 -2.240129 Rho 0.2386963E+00 |GRAD(Rho)| 0.2580271E-14 GRAD(Rho)x -0.7459311E-16 GRAD(Rho)y -0.2505842E-14 GRAD(Rho)z -0.6107311E-15 Laplacian 0.8591921E+00 (-1/4)Del**2(Rho)) -0.2147980E+00 Diamond 0.3028976E+01 Metallicity 0.7366576E+01 Ellipticity 0.8740967E-02 Gb(Abramov) 0.4069197E+00 Vb(Abramov) -0.5990414E+00 Hb(Abramov) -0.1921217E+00 Ex_ueg -0.1093569E+00 Ec_ueg -0.1434904E-01 Delta_ex -0.1037146E+00 Delta_ec 0.1910775E-01 Delta_et -0.2650502E+00 Pxc 0.7621197E+01 Qxc -0.5427881E+01 3,-1 156 3 -1 2.661243 -1.585425 1.977315 Rho 0.1765009E+00 |GRAD(Rho)| 0.2766777E-12 GRAD(Rho)x 0.2733705E-12 GRAD(Rho)y -0.1428577E-13 GRAD(Rho)z 0.4018693E-13 Laplacian 0.6905505E+00 (-1/4)Del**2(Rho)) -0.1726376E+00 Diamond 0.1700715E+01 Metallicity 0.5541950E+01 Ellipticity 0.4580732E-01 Gb(Abramov) 0.2745499E+00 Vb(Abramov) -0.3764623E+00 Hb(Abramov) -0.1019123E+00 Ex_ueg -0.7312193E-01 Ec_ueg -0.1016102E-01 Delta_ex -0.7721228E-01 Delta_ec 0.1680024E-01 Delta_et -0.2281910E+00 Pxc 0.7196316E+01 Qxc -0.4595904E+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 90 86 72 153 89 127 136 78 130 80 124 148 123 98 140 105 156 141 142 132 143 63 64 68 116 102 146 145 114 115 151 135 65 152 125 137 75 71 84 126 88 85 97 103 139 138 154 155 77 76 121 122 147 150 133 58 69 56 55 131 134 110 53 48 108 109 1 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 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 15 16 17 19 21 21 23 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 28 36 45 46 36 36 47 23 28 46 45 2.474028 1.926540 1.935196 1.957677 1.905693 1.745225 1.747199 2.449697 1.924820 1.912610 1.963141 1.937601 1.740405 2.589199 1.952849 2.032925 1.859402 1.857727 1.748541 2.487480 1.952785 1.749493 2.145369 2.018745 1.743525 2.423592 1.905656 1.868187 1.984820 1.969171 1.756089 2.445059 1.760874 1.969575 1.966166 2.126749 2.474119 1.789409 1.958093 1.937839 2.102859 1.752886 2.581502 1.965652 1.934549 1.853595 1.933690 1.745777 2.453972 1.933688 1.926585 1.740725 1.928040 1.947278 1.574661 3.179896 1.528145 1.739591 1.717780 1.603786 1.579428 1.670609 2.935815 2.900732 1.009025 1.007358 2.475111 1.927123 1.936159 1.958215 1.906320 1.745230 1.747238 2.450813 1.926123 1.913092 1.963692 1.938136 1.740408 2.590229 1.953257 2.033282 1.859771 1.858145 1.748552 2.488674 1.953236 1.749608 2.146131 2.019361 1.743531 2.424796 1.906055 1.868620 1.985397 1.969746 1.756116 2.446251 1.760924 1.969873 1.966722 2.127336 2.475146 1.789509 1.958401 1.938412 2.103391 1.752910 2.582573 1.966089 1.934958 1.854016 1.934159 1.745786 2.455124 1.934245 1.927847 1.740727 1.928569 1.947799 1.574673 3.211819 1.528224 1.746371 1.723695 1.603819 1.579429 1.673346 2.946187 2.910438 1.009106 1.007443 29 25 27 23 24 21 23 27 26 23 23 23 20 29 23 25 22 22 21 29 23 22 25 23 21 29 23 22 24 25 23 27 22 23 23 27 29 22 23 23 25 22 29 25 23 22 23 21 27 25 23 20 23 23 19 35 21 26 25 23 19 23 33 33 18 19 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 W O W W Mo W W O O W W 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 O O O H H H 2.4267 -0.7645 2.4477 2.4283 2.2122 2.4851 2.3525 -0.8086 -0.8421 2.3696 2.4356 2.4410 -1.0310 -0.9121 -1.0719 -1.0389 -0.8668 -0.9493 -0.8071 -0.9655 -0.7813 -0.9775 -0.7806 -0.9761 -0.9739 -0.8061 -0.9552 -0.7233 -0.9461 -0.8028 -0.9785 -1.0026 -0.9781 -0.9686 -0.9689 2.2410 -0.8355 -0.9711 -0.9559 -0.9803 -0.8132 -0.8203 -0.8027 -0.8301 0.2800 0.2837 0.2829 2.1071 1.9683 2.1009 2.1001 2.0036 2.0869 2.1268 1.9622 1.9568 2.1225 2.0949 2.1001 1.8961 1.9129 1.8931 1.8957 1.9549 1.9328 1.9598 1.9318 1.8770 1.9299 1.8768 1.9302 1.9291 1.8765 1.9339 1.9735 1.9440 1.9627 1.9405 1.9376 1.9389 1.9381 1.9412 2.5572 1.9578 1.9418 1.9418 1.9404 1.9605 1.9611 1.9631 1.9595 0.5606 0.5543 0.5519 6.1133 4.7657 6.1013 6.0998 6.1062 6.0851 6.1166 4.8117 4.8526 6.1174 6.1024 6.1017 5.0975 4.9570 5.1401 5.1055 4.8791 4.9895 4.8144 5.0033 4.8732 5.0190 4.8726 5.0160 5.0156 4.8988 4.9910 4.7187 4.9735 4.8051 5.0069 5.0335 5.0071 4.9987 4.9969 7.3852 4.8446 4.9994 4.9852 5.0086 4.8185 4.8249 4.8046 4.8367 0.1594 0.1620 0.1651 3.3236 0.0305 3.3209 3.3425 3.6779 3.3132 3.3754 0.0346 0.0327 3.3617 3.3377 3.3280 0.0374 0.0422 0.0387 0.0377 0.0328 0.0270 0.0329 0.0305 0.0311 0.0286 0.0312 0.0300 0.0292 0.0308 0.0303 0.0312 0.0286 0.0350 0.0311 0.0315 0.0321 0.0318 0.0309 0.8167 0.0331 0.0300 0.0289 0.0314 0.0343 0.0343 0.0350 0.0339 0.0000 0.0000 0.0000 14.0293 0.0000 14.0291 14.0293 0.0000 14.0297 14.0286 0.0000 0.0000 14.0288 14.0295 14.0290 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 W O W W Mo W W O O W W 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 O O O H H H 2.512269 -1.043089 2.509413 2.495757 3.143226 2.513324 2.476694 -0.846595 -0.890102 2.482573 2.503089 2.507619 -1.061265 -0.795476 -1.039993 -1.028524 -0.826032 -1.093597 -0.860666 -0.967452 -0.627169 -0.983010 -0.625575 -0.970728 -0.975865 -0.651919 -0.960662 -0.998733 -1.039267 -0.839269 -0.962873 -0.978569 -0.967713 -0.965913 -0.969353 1.998132 -0.882802 -0.973962 -1.057813 -0.962786 -0.857107 -0.860305 -0.838735 -0.872530 0.048526 0.047030 0.037795 1.951190 -0.834936 1.945300 1.930032 2.339628 1.937155 1.933331 -0.753187 -0.800175 1.927561 1.932881 1.948675 -0.790510 -0.675062 -0.742452 -0.735134 -0.748291 -0.831593 -0.766784 -0.734346 -0.774407 -0.724627 -0.774059 -0.724085 -0.727786 -0.795482 -0.737072 -0.794642 -0.884009 -0.726277 -0.789520 -0.793174 -0.786134 -0.782089 -0.811847 1.577455 -0.791049 -0.815844 -0.855865 -0.789371 -0.752175 -0.765851 -0.727652 -0.780974 0.305981 0.305972 0.281301 2.080000 -0.815588 2.035811 2.031567 2.424806 2.041008 2.026808 -0.714078 -0.776347 2.035518 2.037875 2.036304 -0.857271 -0.679364 -0.822462 -0.798659 -0.796116 -0.909829 -0.783830 -0.808054 -0.823344 -0.822021 -0.815651 -0.818127 -0.811212 -0.818364 -0.809932 -0.809427 -0.912520 -0.704962 -0.830762 -0.856764 -0.826904 -0.823026 -0.836957 1.539156 -0.770791 -0.843872 -0.915952 -0.835089 -0.743474 -0.731707 -0.703835 -0.749014 0.372137 0.378055 0.336261 -18.50254907 0.90890401 -2.87992895 18.74738433 63.62666663 17.71694223 0.20918476 -21.45437752 3.54416801 -42.17228911 -327.1436 353.7115 -30.3560 -354.0241 -44.7188 -402.5310 Mar21-2024 20:37:13 Nodes: 1 Procs: 1 Mar21-2024 20:37:14 Nodes: 1 Procs: 1 0 Mar21-2024 20:37:15 Nodes: 1 Procs: 1 Mar21-2024 20:37:15 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar21-2024 20:37:16 Nodes: 1 Procs: 1 Mar21-2024 20:37:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar21-2024 20:37:17 Nodes: 1 Procs: 1 Mar21-2024 20:37:17 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar21-2024 20:37:18 Nodes: 1 Procs: 1 Mar21-2024 20:37:19 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar21-2024 20:37:21 Nodes: 1 Procs: 24 *** (NO TITLE) *** -6 -14.71396383 -14.76771688 -14.78489687 -14.78529064 -14.78873305 -14.78980318 -14.79078641 -14.79126541 -14.79183231 -14.79241470 -14.79259642 -14.79265081 -14.79270673 -14.79271659 -14.79273595 -14.79274233 GEOMETRY CONVERGED