ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar01-2024 21:39:33 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.63 0.02 0.76 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Mar01-2024 21:39:33 Nodes: 1 Procs: 1 Mar01-2024 21:39:33 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar01-2024 21:39:34 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.66 0.04 0.73 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 Mar01-2024 21:39:33 Nodes: 1 Procs: 1 Mar01-2024 21:39:33 Nodes: 1 Procs: 1 0 Mar01-2024 21:39:34 Nodes: 1 Procs: 1 Mar01-2024 21:39:34 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar01-2024 21:39:35 Arsenic (TZP, 3p frozen) kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.41 0.03 0.47 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 Mar01-2024 21:39:33 Nodes: 1 Procs: 1 Mar01-2024 21:39:33 Nodes: 1 Procs: 1 0 Mar01-2024 21:39:34 Nodes: 1 Procs: 1 Mar01-2024 21:39:34 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar01-2024 21:39:35 Nodes: 1 Procs: 1 Mar01-2024 21:39:36 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar01-2024 21:39:37 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP 1754.2381999999973 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935.0909 935.4249 935.9186 936.5904 937.4447 937.4780 938.9661 941.1866 941.4657 944.8709 945.9389 946.9443 947.9093 949.8541 951.9943 952.4717 953.1569 956.6083 963.4622 963.6635 971.4629 982.9459 987.4090 987.6695 0.00000000088930 0.00041036564430 0.00016297236681 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 42 42 42 42 42 42 42 42 42 42 42 33 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 0.130892 0.012732 3.572035 0.130892 0.012732 -3.572035 -0.140413 3.640192 0.000000 2.518179 -1.840125 1.847301 2.599922 1.755144 -1.877257 -2.581181 1.833745 -1.726338 -2.503600 -2.110206 1.720531 -2.503600 -2.110206 -1.720531 -2.581181 1.833745 1.726338 2.599922 1.755144 1.877257 2.518179 -1.840125 -1.847301 -0.076590 -0.107371 0.000000 0.967087 -0.081713 1.362876 -1.068160 -1.489416 0.000000 0.967087 -0.081713 -1.362876 -0.995043 1.344310 0.000000 -3.057002 0.102696 1.586552 3.071535 -1.553778 0.000000 -3.057002 0.102696 -1.586552 3.119982 1.724954 0.000000 1.388802 -3.118854 -1.484557 1.159739 2.912942 1.294095 -1.155926 -1.288661 -2.880330 -1.139188 1.354883 2.934319 -1.139188 1.354883 -2.934319 -1.155926 -1.288661 2.880330 1.159739 2.912942 -1.294095 1.388802 -3.118854 1.484557 3.428636 0.126260 2.177515 -3.447449 -2.217261 0.000000 3.428636 0.126260 -2.177515 -3.397917 2.314176 0.000000 1.480281 1.385448 3.498428 1.542254 -1.307424 -3.520328 -1.453523 3.542746 1.356658 -1.842640 -3.728962 -1.738233 -1.842640 -3.728962 1.738233 -1.453523 3.542746 -1.356658 1.542254 -1.307424 3.520328 1.480281 1.385448 -3.498428 -0.229568 -0.006364 5.276389 3.905104 -2.668188 -2.534365 -0.229568 -0.006364 -5.276389 0.272149 5.337951 0.000000 3.905104 -2.668188 2.534365 3.731423 2.901292 -2.546810 -3.748265 2.543679 -2.820829 -3.880897 -2.255535 2.799879 -3.880897 -2.255535 -2.799879 -3.748265 2.543679 2.820829 3.731423 2.901292 2.546810 1 3 -3 0.130892 0.012732 3.572035 Rho 0.1240649E+06 3,-3 2 3 -3 0.130892 0.012732 -3.572035 Rho 0.1240649E+06 3,-3 3 3 -3 -0.140413 3.640192 0.000000 Rho 0.1240651E+06 3,-3 4 3 -3 2.518179 -1.840125 1.847301 Rho 0.1240649E+06 3,-3 5 3 -3 2.599922 1.755144 -1.877257 Rho 0.1240649E+06 3,-3 6 3 -3 -2.581181 1.833745 -1.726338 Rho 0.1240649E+06 3,-3 7 3 -3 -2.503600 -2.110206 1.720531 Rho 0.1240649E+06 3,-3 8 3 -3 -2.503600 -2.110206 -1.720531 Rho 0.1240649E+06 3,-3 9 3 -3 -2.581181 1.833745 1.726338 Rho 0.1240649E+06 3,-3 10 3 -3 2.599922 1.755144 1.877257 Rho 0.1240649E+06 3,-3 11 3 -3 2.518179 -1.840125 -1.847301 Rho 0.1240649E+06 3,-3 12 3 -3 -0.076590 -0.107371 0.000000 Rho 0.4276088E+05 3,-3 13 3 -3 0.967087 -0.081713 1.362876 Rho 0.3190404E+03 3,-3 14 3 -3 -1.068160 -1.489416 0.000000 Rho 0.3190666E+03 3,-3 15 3 -3 0.967087 -0.081713 -1.362876 Rho 0.3190404E+03 3,-3 16 3 -3 -0.995043 1.344310 0.000000 Rho 0.3190325E+03 3,-3 17 3 -3 -3.057002 0.102696 1.586552 Rho 0.3192048E+03 3,-3 18 3 -3 3.071535 -1.553778 0.000000 Rho 0.3189590E+03 3,-3 19 3 -3 -3.057002 0.102696 -1.586552 Rho 0.3192048E+03 3,-3 20 3 -3 3.119982 1.724954 0.000000 Rho 0.3189834E+03 3,-3 21 3 -3 1.388802 -3.118854 -1.484557 Rho 0.3194648E+03 3,-3 22 3 -3 1.159739 2.912942 1.294095 Rho 0.3190112E+03 3,-3 23 3 -3 -1.155926 -1.288661 -2.880330 Rho 0.3189626E+03 3,-3 24 3 -3 -1.139188 1.354883 2.934319 Rho 0.3189990E+03 3,-3 25 3 -3 -1.139188 1.354883 -2.934319 Rho 0.3189990E+03 3,-3 26 3 -3 -1.155926 -1.288661 2.880330 Rho 0.3189626E+03 3,-3 27 3 -3 1.159739 2.912942 -1.294095 Rho 0.3190112E+03 3,-3 28 3 -3 1.388802 -3.118854 1.484557 Rho 0.3194648E+03 3,-3 29 3 -3 3.428636 0.126260 2.177515 Rho 0.3191512E+03 3,-3 30 3 -3 -3.447449 -2.217261 0.000000 Rho 0.3190200E+03 3,-3 31 3 -3 3.428636 0.126260 -2.177515 Rho 0.3191512E+03 3,-3 32 3 -3 -3.397917 2.314176 0.000000 Rho 0.3190491E+03 3,-3 33 3 -3 1.480281 1.385448 3.498428 Rho 0.3190607E+03 3,-3 34 3 -3 1.542254 -1.307424 -3.520328 Rho 0.3190572E+03 3,-3 35 3 -3 -1.453523 3.542746 1.356658 Rho 0.3190900E+03 3,-3 36 3 -3 -1.842640 -3.728962 -1.738233 Rho 0.3193909E+03 3,-3 37 3 -3 -1.842640 -3.728962 1.738233 Rho 0.3193909E+03 3,-3 38 3 -3 -1.453523 3.542746 -1.356658 Rho 0.3190900E+03 3,-3 39 3 -3 1.542254 -1.307424 3.520328 Rho 0.3190572E+03 3,-3 40 3 -3 1.480281 1.385448 -3.498428 Rho 0.3190607E+03 3,-3 41 3 -3 -0.229568 -0.006364 5.276389 Rho 0.3194004E+03 3,-3 42 3 -3 3.905104 -2.668188 -2.534365 Rho 0.3193446E+03 3,-3 43 3 -3 -0.229568 -0.006364 -5.276389 Rho 0.3194004E+03 3,-3 44 3 -3 0.272149 5.337951 0.000000 Rho 0.3193617E+03 3,-3 45 3 -3 3.905104 -2.668188 2.534365 Rho 0.3193446E+03 3,-3 46 3 -3 3.731423 2.901292 -2.546810 Rho 0.3193786E+03 3,-3 47 3 -3 -3.748265 2.543679 -2.820829 Rho 0.3193588E+03 3,-3 48 3 -3 -3.880897 -2.255535 2.799879 Rho 0.3193485E+03 3,-3 49 3 -3 -3.880897 -2.255535 -2.799879 Rho 0.3193485E+03 3,-3 50 3 -3 -3.748265 2.543679 2.820829 Rho 0.3193588E+03 3,-3 51 3 -3 3.731423 2.901292 2.546810 Rho 0.3193786E+03 3,-3 52 3 -1 -1.754148 -1.756156 0.845675 Rho 0.5241314E-01 |GRAD(Rho)| 0.2320733E-14 GRAD(Rho)x -0.1275517E-14 GRAD(Rho)y -0.1042260E-14 GRAD(Rho)z 0.1634794E-14 Laplacian 0.2129441E+00 (-1/4)Del**2(Rho)) -0.5323601E-01 Diamond 0.1185562E+00 Metallicity 0.2375461E+01 Ellipticity 0.1936638E-01 Gb(Abramov) 0.5656736E-01 Vb(Abramov) -0.5989870E-01 Hb(Abramov) -0.3331343E-02 Ex_ueg -0.1448678E-01 Ec_ueg -0.2548691E-02 Delta_ex -0.1787785E-01 Delta_ec 0.6593078E-02 Delta_et -0.7046195E-01 Pxc 0.5684009E+01 Qxc -0.2711608E+01 3,-1 53 3 +1 -0.584851 -0.833968 -1.508816 Rho 0.9775275E-02 |GRAD(Rho)| 0.2630115E-13 GRAD(Rho)x 0.7710320E-14 GRAD(Rho)y 0.9528949E-14 GRAD(Rho)z -0.2327017E-13 Laplacian 0.3780633E-01 (-1/4)Del**2(Rho)) -0.9451582E-02 Diamond 0.1258641E-02 Metallicity 0.8145736E+00 Ellipticity -0.1574934E+01 Gb(Abramov) 0.7584223E-02 Vb(Abramov) -0.5716864E-02 Hb(Abramov) 0.1867359E-02 Ex_ueg -0.1543679E-02 Ec_ueg -0.3578673E-03 Delta_ex -0.1804803E-02 Delta_ec 0.5684272E-03 Delta_et -0.3986367E-02 Pxc 0.4313552E+01 Qxc -0.3175082E+01 3,+1 54 3 +1 -0.584851 -0.833968 1.508816 Rho 0.9775275E-02 |GRAD(Rho)| 0.1030919E-14 GRAD(Rho)x -0.8416140E-15 GRAD(Rho)y -0.3811437E-15 GRAD(Rho)z -0.4573952E-15 Laplacian 0.3780633E-01 (-1/4)Del**2(Rho)) -0.9451582E-02 Diamond 0.1258641E-02 Metallicity 0.8145736E+00 Ellipticity -0.1574934E+01 Gb(Abramov) 0.7584223E-02 Vb(Abramov) -0.5716864E-02 Hb(Abramov) 0.1867359E-02 Ex_ueg -0.1543679E-02 Ec_ueg -0.3578673E-03 Delta_ex -0.1804803E-02 Delta_ec 0.5684272E-03 Delta_et -0.3986367E-02 Pxc 0.4313552E+01 Qxc -0.3175082E+01 3,+1 55 3 +3 0.793836 -2.095813 -0.000000 Rho 0.2926848E-02 |GRAD(Rho)| 0.5575851E-17 GRAD(Rho)x -0.2480767E-17 GRAD(Rho)y 0.2786697E-17 GRAD(Rho)z -0.4143697E-17 Laplacian 0.1149457E-01 (-1/4)Del**2(Rho)) -0.2873642E-02 Diamond 0.6061073E-04 Metallicity 0.3590218E+00 Ellipticity -0.8518209E+00 Gb(Abramov) 0.2087711E-02 Vb(Abramov) -0.1301781E-02 Hb(Abramov) 0.7859305E-03 Ex_ueg -0.3092089E-03 Ec_ueg -0.5881750E-04 Delta_ex -0.3847913E-03 Delta_ec 0.1248642E-03 Delta_et -0.6752732E-03 Pxc 0.5257090E+01 Qxc -0.3081678E+01 3,+3 56 3 -1 -2.149420 -2.974057 -1.729135 Rho 0.2205011E+00 |GRAD(Rho)| 0.1582043E-13 GRAD(Rho)x -0.5429088E-14 GRAD(Rho)y -0.1269725E-13 GRAD(Rho)z 0.7719496E-14 Laplacian 0.8309742E+00 (-1/4)Del**2(Rho)) -0.2077436E+00 Diamond 0.2637346E+01 Metallicity 0.6673859E+01 Ellipticity 0.8817896E-02 Gb(Abramov) 0.3695709E+00 Vb(Abramov) -0.5313982E+00 Hb(Abramov) -0.1618273E+00 Ex_ueg -0.9838590E-01 Ec_ueg -0.1310164E-01 Delta_ex -0.9811204E-01 Delta_ec 0.1863709E-01 Delta_et -0.2564668E+00 Pxc 0.7509435E+01 Qxc -0.5264343E+01 3,-1 57 3 -1 -2.149420 -2.974057 1.729135 Rho 0.2205011E+00 |GRAD(Rho)| 0.1590840E-13 GRAD(Rho)x -0.5466954E-14 GRAD(Rho)y -0.1279201E-13 GRAD(Rho)z -0.7717133E-14 Laplacian 0.8309742E+00 (-1/4)Del**2(Rho)) -0.2077436E+00 Diamond 0.2637346E+01 Metallicity 0.6673859E+01 Ellipticity 0.8817896E-02 Gb(Abramov) 0.3695709E+00 Vb(Abramov) -0.5313982E+00 Hb(Abramov) -0.1618273E+00 Ex_ueg -0.9838590E-01 Ec_ueg -0.1310164E-01 Delta_ex -0.9811204E-01 Delta_ec 0.1863709E-01 Delta_et -0.2564668E+00 Pxc 0.7509435E+01 Qxc -0.5264343E+01 3,-1 58 3 +1 -0.260319 -2.618239 -1.844443 Rho 0.2966915E-02 |GRAD(Rho)| 0.5871523E-17 GRAD(Rho)x 0.4967098E-17 GRAD(Rho)y -0.1923700E-17 GRAD(Rho)z 0.2470242E-17 Laplacian 0.1180478E-01 (-1/4)Del**2(Rho)) -0.2951195E-02 Diamond 0.1154548E-03 Metallicity 0.3575996E+00 Ellipticity -0.1426839E+01 Gb(Abramov) 0.2143354E-02 Vb(Abramov) -0.1335514E-02 Hb(Abramov) 0.8078405E-03 Ex_ueg -0.3148655E-03 Ec_ueg -0.6049825E-04 Delta_ex -0.4934001E-03 Delta_ec 0.3013134E-03 Delta_et -0.1427022E-02 Pxc 0.5204539E+01 Qxc -0.1637498E+01 3,+1 59 3 +1 -0.311446 -2.701269 -1.247610 Rho 0.2965156E-02 |GRAD(Rho)| 0.4732952E-17 GRAD(Rho)x 0.4436137E-17 GRAD(Rho)y -0.1647674E-17 GRAD(Rho)z -0.8183119E-19 Laplacian 0.1189729E-01 (-1/4)Del**2(Rho)) -0.2974322E-02 Diamond 0.1022602E-03 Metallicity 0.3544686E+00 Ellipticity -0.1280103E+01 Gb(Abramov) 0.2158599E-02 Vb(Abramov) -0.1342875E-02 Hb(Abramov) 0.8157234E-03 Ex_ueg -0.3146167E-03 Ec_ueg -0.6042446E-04 Delta_ex -0.4711055E-03 Delta_ec 0.2570671E-03 Delta_et -0.1241125E-02 Pxc 0.5206777E+01 Qxc -0.1832617E+01 3,+1 60 3 +1 -0.311446 -2.701269 1.247610 Rho 0.2965156E-02 |GRAD(Rho)| 0.4433205E-17 GRAD(Rho)x -0.3893030E-17 GRAD(Rho)y 0.1938273E-17 GRAD(Rho)z -0.8606530E-18 Laplacian 0.1189729E-01 (-1/4)Del**2(Rho)) -0.2974322E-02 Diamond 0.1022602E-03 Metallicity 0.3544686E+00 Ellipticity -0.1280103E+01 Gb(Abramov) 0.2158599E-02 Vb(Abramov) -0.1342875E-02 Hb(Abramov) 0.8157234E-03 Ex_ueg -0.3146167E-03 Ec_ueg -0.6042446E-04 Delta_ex -0.4711055E-03 Delta_ec 0.2570671E-03 Delta_et -0.1241125E-02 Pxc 0.5206777E+01 Qxc -0.1832617E+01 3,+1 61 3 +1 -0.260319 -2.618239 1.844443 Rho 0.2966915E-02 |GRAD(Rho)| 0.6464678E-17 GRAD(Rho)x 0.4992651E-17 GRAD(Rho)y -0.3926213E-17 GRAD(Rho)z -0.1204309E-17 Laplacian 0.1180478E-01 (-1/4)Del**2(Rho)) -0.2951195E-02 Diamond 0.1154548E-03 Metallicity 0.3575996E+00 Ellipticity -0.1426839E+01 Gb(Abramov) 0.2143354E-02 Vb(Abramov) -0.1335514E-02 Hb(Abramov) 0.8078405E-03 Ex_ueg -0.3148655E-03 Ec_ueg -0.6049825E-04 Delta_ex -0.4934001E-03 Delta_ec 0.3013134E-03 Delta_et -0.1427022E-02 Pxc 0.5204539E+01 Qxc -0.1637498E+01 3,+1 62 3 +3 -0.275643 -2.476753 -1.534513 Rho 0.2881319E-02 |GRAD(Rho)| 0.6744881E-15 GRAD(Rho)x 0.4190357E-15 GRAD(Rho)y -0.3546908E-15 GRAD(Rho)z -0.3918390E-15 Laplacian 0.1156883E-01 (-1/4)Del**2(Rho)) -0.2892208E-02 Diamond 0.8493368E-04 Metallicity 0.3475169E+00 Ellipticity -0.2619923E+00 Gb(Abramov) 0.2095654E-02 Vb(Abramov) -0.1299100E-02 Hb(Abramov) 0.7965541E-03 Ex_ueg -0.3028123E-03 Ec_ueg -0.5690869E-04 Delta_ex -0.4346447E-03 Delta_ec 0.2128169E-03 Delta_et -0.1041392E-02 Pxc 0.5321021E+01 Qxc -0.2042341E+01 3,+3 63 3 -1 -2.777221 -0.952644 -1.646012 Rho 0.5673940E-01 |GRAD(Rho)| 0.4499752E-15 GRAD(Rho)x 0.8839784E-16 GRAD(Rho)y -0.4392205E-15 GRAD(Rho)z -0.4182008E-16 Laplacian 0.2367717E+00 (-1/4)Del**2(Rho)) -0.5919293E-01 Diamond 0.1475366E+00 Metallicity 0.2438323E+01 Ellipticity 0.1107797E-01 Gb(Abramov) 0.6351720E-01 Vb(Abramov) -0.6784146E-01 Hb(Abramov) -0.4324267E-02 Ex_ueg -0.1610267E-01 Ec_ueg -0.2790655E-02 Delta_ex -0.2030471E-01 Delta_ec 0.7373061E-02 Delta_et -0.8045994E-01 Pxc 0.5770212E+01 Qxc -0.2753905E+01 3,-1 64 3 -1 -2.777221 -0.952644 1.646012 Rho 0.5673940E-01 |GRAD(Rho)| 0.8456189E-15 GRAD(Rho)x 0.1589809E-15 GRAD(Rho)y -0.8279866E-15 GRAD(Rho)z 0.6507436E-16 Laplacian 0.2367717E+00 (-1/4)Del**2(Rho)) -0.5919293E-01 Diamond 0.1475366E+00 Metallicity 0.2438323E+01 Ellipticity 0.1107797E-01 Gb(Abramov) 0.6351720E-01 Vb(Abramov) -0.6784146E-01 Hb(Abramov) -0.4324267E-02 Ex_ueg -0.1610267E-01 Ec_ueg -0.2790655E-02 Delta_ex -0.2030471E-01 Delta_ec 0.7373061E-02 Delta_et -0.8045994E-01 Pxc 0.5770212E+01 Qxc -0.2753905E+01 3,-1 65 3 +3 -0.275643 -2.476753 1.534513 Rho 0.2881319E-02 |GRAD(Rho)| 0.6771944E-15 GRAD(Rho)x 0.4216766E-15 GRAD(Rho)y -0.3537662E-15 GRAD(Rho)z 0.3945005E-15 Laplacian 0.1156883E-01 (-1/4)Del**2(Rho)) -0.2892208E-02 Diamond 0.8493368E-04 Metallicity 0.3475169E+00 Ellipticity -0.2619923E+00 Gb(Abramov) 0.2095654E-02 Vb(Abramov) -0.1299100E-02 Hb(Abramov) 0.7965541E-03 Ex_ueg -0.3028123E-03 Ec_ueg -0.5690869E-04 Delta_ex -0.4346447E-03 Delta_ec 0.2128169E-03 Delta_et -0.1041392E-02 Pxc 0.5321021E+01 Qxc -0.2042341E+01 3,+3 66 3 -1 -1.790580 -1.664680 -2.318118 Rho 0.1258774E+00 |GRAD(Rho)| 0.4491619E-15 GRAD(Rho)x -0.2734222E-15 GRAD(Rho)y -0.3087198E-15 GRAD(Rho)z 0.1779853E-15 Laplacian 0.5159530E+00 (-1/4)Del**2(Rho)) -0.1289882E+00 Diamond 0.8416663E+00 Metallicity 0.4222626E+01 Ellipticity 0.1341355E-01 Gb(Abramov) 0.1767704E+00 Vb(Abramov) -0.2245525E+00 Hb(Abramov) -0.4778211E-01 Ex_ueg -0.4659243E-01 Ec_ueg -0.6917713E-02 Delta_ex -0.5303109E-01 Delta_ec 0.1353972E-01 Delta_et -0.1752425E+00 Pxc 0.6735237E+01 Qxc -0.3916704E+01 3,-1 67 3 -1 -1.754148 -1.756156 -0.845675 Rho 0.5241314E-01 |GRAD(Rho)| 0.5708816E-14 GRAD(Rho)x -0.3477890E-14 GRAD(Rho)y 0.6225311E-16 GRAD(Rho)z 0.4526697E-14 Laplacian 0.2129441E+00 (-1/4)Del**2(Rho)) -0.5323601E-01 Diamond 0.1185562E+00 Metallicity 0.2375461E+01 Ellipticity 0.1936638E-01 Gb(Abramov) 0.5656736E-01 Vb(Abramov) -0.5989870E-01 Hb(Abramov) -0.3331343E-02 Ex_ueg -0.1448678E-01 Ec_ueg -0.2548691E-02 Delta_ex -0.1787785E-01 Delta_ec 0.6593078E-02 Delta_et -0.7046195E-01 Pxc 0.5684009E+01 Qxc -0.2711608E+01 3,-1 68 3 -1 -1.978348 2.716791 -1.519437 Rho 0.9663548E-01 |GRAD(Rho)| 0.7813359E-14 GRAD(Rho)x -0.4835830E-14 GRAD(Rho)y -0.5652651E-14 GRAD(Rho)z -0.2389742E-14 Laplacian 0.3798969E+00 (-1/4)Del**2(Rho)) -0.9497421E-01 Diamond 0.4486455E+00 Metallicity 0.3691264E+01 Ellipticity 0.1846638E-01 Gb(Abramov) 0.1217453E+00 Vb(Abramov) -0.1485164E+00 Hb(Abramov) -0.2677108E-01 Ex_ueg -0.3275170E-01 Ec_ueg -0.5121696E-02 Delta_ex -0.3664419E-01 Delta_ec 0.1052222E-01 Delta_et -0.1296389E+00 Pxc 0.6394699E+01 Qxc -0.3482553E+01 3,-1 69 3 -1 0.019591 2.086245 -2.081251 Rho 0.5719519E-02 |GRAD(Rho)| 0.1876112E-15 GRAD(Rho)x -0.1723659E-17 GRAD(Rho)y -0.1505978E-15 GRAD(Rho)z -0.1118717E-15 Laplacian 0.2287911E-01 (-1/4)Del**2(Rho)) -0.5719777E-02 Diamond 0.7528815E-03 Metallicity 0.5509429E+00 Ellipticity 0.1936873E+01 Gb(Abramov) 0.4338396E-02 Vb(Abramov) -0.2957016E-02 Hb(Abramov) 0.1381381E-02 Ex_ueg -0.7554362E-03 Ec_ueg -0.1780069E-03 Delta_ex -0.1255896E-02 Delta_ec 0.8778641E-03 Delta_et -0.4901143E-02 Pxc 0.4243860E+01 Qxc -0.1430626E+01 3,-1 70 3 +1 0.193746 1.967230 -2.211221 Rho 0.5662345E-02 |GRAD(Rho)| 0.1444284E-14 GRAD(Rho)x 0.9778336E-15 GRAD(Rho)y -0.6010496E-15 GRAD(Rho)z -0.8766624E-15 Laplacian 0.2352577E-01 (-1/4)Del**2(Rho)) -0.5881442E-02 Diamond 0.6094260E-03 Metallicity 0.5269022E+00 Ellipticity -0.2441933E+01 Gb(Abramov) 0.4437452E-02 Vb(Abramov) -0.2993462E-02 Hb(Abramov) 0.1443990E-02 Ex_ueg -0.7453842E-03 Ec_ueg -0.1755266E-03 Delta_ex -0.1167600E-02 Delta_ec 0.6858881E-03 Delta_et -0.3888409E-02 Pxc 0.4246559E+01 Qxc -0.1702319E+01 3,+1 71 3 +1 -1.308781 2.351933 -0.739660 Rho 0.2466065E-01 |GRAD(Rho)| 0.1705619E-15 GRAD(Rho)x -0.1239132E-15 GRAD(Rho)y -0.5065145E-17 GRAD(Rho)z -0.1170950E-15 Laplacian 0.9737023E-01 (-1/4)Del**2(Rho)) -0.2434256E-01 Diamond 0.1328384E-01 Metallicity 0.1478636E+01 Ellipticity -0.4958757E+01 Gb(Abramov) 0.2222733E-01 Vb(Abramov) -0.2011211E-01 Hb(Abramov) 0.2115223E-02 Ex_ueg -0.5301407E-02 Ec_ueg -0.1071644E-02 Delta_ex -0.6120805E-02 Delta_ec 0.1807559E-02 Delta_et -0.1586486E-01 Pxc 0.4946986E+01 Qxc -0.3386227E+01 3,+1 72 3 -1 -0.557644 2.446998 0.000000 Rho 0.3890837E-01 |GRAD(Rho)| 0.5865027E-15 GRAD(Rho)x 0.1754471E-15 GRAD(Rho)y 0.5596461E-15 GRAD(Rho)z -0.8046240E-19 Laplacian 0.1610725E+00 (-1/4)Del**2(Rho)) -0.4026812E-01 Diamond 0.5937045E-01 Metallicity 0.1911306E+01 Ellipticity 0.1702462E-01 Gb(Abramov) 0.3967286E-01 Vb(Abramov) -0.3907761E-01 Hb(Abramov) 0.5952561E-03 Ex_ueg -0.9737388E-02 Ec_ueg -0.1811632E-02 Delta_ex -0.1253301E-01 Delta_ec 0.4948654E-02 Delta_et -0.4882853E-01 Pxc 0.5374926E+01 Qxc -0.2532610E+01 3,-1 73 3 +1 -1.308781 2.351933 0.739660 Rho 0.2466065E-01 |GRAD(Rho)| 0.1304990E-15 GRAD(Rho)x -0.9464193E-16 GRAD(Rho)y -0.2690875E-16 GRAD(Rho)z 0.8572518E-16 Laplacian 0.9737023E-01 (-1/4)Del**2(Rho)) -0.2434256E-01 Diamond 0.1328384E-01 Metallicity 0.1478636E+01 Ellipticity -0.4958757E+01 Gb(Abramov) 0.2222733E-01 Vb(Abramov) -0.2011211E-01 Hb(Abramov) 0.2115223E-02 Ex_ueg -0.5301407E-02 Ec_ueg -0.1071644E-02 Delta_ex -0.6120805E-02 Delta_ec 0.1807559E-02 Delta_et -0.1586486E-01 Pxc 0.4946986E+01 Qxc -0.3386227E+01 3,+1 74 3 +1 0.193746 1.967230 2.211221 Rho 0.5662345E-02 |GRAD(Rho)| 0.5881657E-14 GRAD(Rho)x 0.4703428E-14 GRAD(Rho)y -0.2161359E-14 GRAD(Rho)z 0.2792881E-14 Laplacian 0.2352577E-01 (-1/4)Del**2(Rho)) -0.5881442E-02 Diamond 0.6094260E-03 Metallicity 0.5269022E+00 Ellipticity -0.2441933E+01 Gb(Abramov) 0.4437452E-02 Vb(Abramov) -0.2993462E-02 Hb(Abramov) 0.1443990E-02 Ex_ueg -0.7453842E-03 Ec_ueg -0.1755266E-03 Delta_ex -0.1167600E-02 Delta_ec 0.6858881E-03 Delta_et -0.3888409E-02 Pxc 0.4246559E+01 Qxc -0.1702319E+01 3,+1 75 3 -1 0.019591 2.086245 2.081251 Rho 0.5719519E-02 |GRAD(Rho)| 0.7920614E-16 GRAD(Rho)x 0.7799531E-16 GRAD(Rho)y -0.4356736E-17 GRAD(Rho)z -0.1309058E-16 Laplacian 0.2287911E-01 (-1/4)Del**2(Rho)) -0.5719777E-02 Diamond 0.7528815E-03 Metallicity 0.5509429E+00 Ellipticity 0.1936873E+01 Gb(Abramov) 0.4338396E-02 Vb(Abramov) -0.2957016E-02 Hb(Abramov) 0.1381381E-02 Ex_ueg -0.7554362E-03 Ec_ueg -0.1780069E-03 Delta_ex -0.1255896E-02 Delta_ec 0.8778641E-03 Delta_et -0.4901143E-02 Pxc 0.4243860E+01 Qxc -0.1430626E+01 3,-1 76 3 -1 -1.978348 2.716791 1.519437 Rho 0.9663548E-01 |GRAD(Rho)| 0.7421136E-14 GRAD(Rho)x -0.4655581E-14 GRAD(Rho)y -0.5272035E-14 GRAD(Rho)z 0.2367377E-14 Laplacian 0.3798969E+00 (-1/4)Del**2(Rho)) -0.9497421E-01 Diamond 0.4486455E+00 Metallicity 0.3691264E+01 Ellipticity 0.1846638E-01 Gb(Abramov) 0.1217453E+00 Vb(Abramov) -0.1485164E+00 Hb(Abramov) -0.2677108E-01 Ex_ueg -0.3275170E-01 Ec_ueg -0.5121696E-02 Delta_ex -0.3664419E-01 Delta_ec 0.1052222E-01 Delta_et -0.1296389E+00 Pxc 0.6394699E+01 Qxc -0.3482553E+01 3,-1 77 3 +1 -2.187645 1.776408 -0.000000 Rho 0.2659379E-01 |GRAD(Rho)| 0.1164893E-15 GRAD(Rho)x -0.1109452E-15 GRAD(Rho)y 0.3364720E-16 GRAD(Rho)z -0.1134849E-16 Laplacian 0.1067525E+00 (-1/4)Del**2(Rho)) -0.2668813E-01 Diamond 0.1682593E-01 Metallicity 0.1529450E+01 Ellipticity -0.1067717E+02 Gb(Abramov) 0.2459511E-01 Vb(Abramov) -0.2250210E-01 Hb(Abramov) 0.2093015E-02 Ex_ueg -0.5862623E-02 Ec_ueg -0.1169289E-02 Delta_ex -0.6912550E-02 Delta_ec 0.2101449E-02 Delta_et -0.1877683E-01 Pxc 0.5013836E+01 Qxc -0.3289421E+01 3,+1 78 3 +1 -0.193411 2.245733 -1.936124 Rho 0.5622283E-02 |GRAD(Rho)| 0.1119720E-16 GRAD(Rho)x 0.6885572E-17 GRAD(Rho)y 0.7035366E-17 GRAD(Rho)z 0.5335700E-17 Laplacian 0.2339268E-01 (-1/4)Del**2(Rho)) -0.5848169E-02 Diamond 0.5747140E-03 Metallicity 0.5236660E+00 Ellipticity -0.2118935E+01 Gb(Abramov) 0.4409194E-02 Vb(Abramov) -0.2970219E-02 Hb(Abramov) 0.1438975E-02 Ex_ueg -0.7383608E-03 Ec_ueg -0.1737897E-03 Delta_ex -0.1139083E-02 Delta_ec 0.6458531E-03 Delta_et -0.3669285E-02 Pxc 0.4248588E+01 Qxc -0.1763688E+01 3,+1 79 3 +1 -0.193411 2.245733 1.936124 Rho 0.5622283E-02 |GRAD(Rho)| 0.1887283E-16 GRAD(Rho)x -0.7729859E-17 GRAD(Rho)y -0.1151536E-16 GRAD(Rho)z 0.1279959E-16 Laplacian 0.2339268E-01 (-1/4)Del**2(Rho)) -0.5848169E-02 Diamond 0.5747140E-03 Metallicity 0.5236660E+00 Ellipticity -0.2118935E+01 Gb(Abramov) 0.4409194E-02 Vb(Abramov) -0.2970219E-02 Hb(Abramov) 0.1438975E-02 Ex_ueg -0.7383608E-03 Ec_ueg -0.1737897E-03 Delta_ex -0.1139083E-02 Delta_ec 0.6458531E-03 Delta_et -0.3669285E-02 Pxc 0.4248588E+01 Qxc -0.1763688E+01 3,+1 80 3 -1 0.534961 -0.036334 -2.420650 Rho 0.4856831E-01 |GRAD(Rho)| 0.1537359E-15 GRAD(Rho)x 0.1022962E-16 GRAD(Rho)y 0.2793382E-17 GRAD(Rho)z 0.1533697E-15 Laplacian 0.1989575E+00 (-1/4)Del**2(Rho)) -0.4973938E-01 Diamond 0.9879088E-01 Metallicity 0.2239277E+01 Ellipticity 0.1148090E-01 Gb(Abramov) 0.5172296E-01 Vb(Abramov) -0.5370655E-01 Hb(Abramov) -0.1983582E-02 Ex_ueg -0.1308747E-01 Ec_ueg -0.2335890E-02 Delta_ex -0.1633987E-01 Delta_ec 0.6076574E-02 Delta_et -0.6362921E-01 Pxc 0.5602778E+01 Qxc -0.2688994E+01 3,-1 81 3 -1 0.876244 -0.681005 -3.522183 Rho 0.1384796E+00 |GRAD(Rho)| 0.3778827E-15 GRAD(Rho)x 0.1299552E-15 GRAD(Rho)y 0.3539242E-15 GRAD(Rho)z 0.2538981E-16 Laplacian 0.5412207E+00 (-1/4)Del**2(Rho)) -0.1353052E+00 Diamond 0.9852577E+00 Metallicity 0.4719344E+01 Ellipticity 0.7505838E-01 Gb(Abramov) 0.1966287E+00 Vb(Abramov) -0.2579523E+00 Hb(Abramov) -0.6132354E-01 Ex_ueg -0.5291344E-01 Ec_ueg -0.7710170E-02 Delta_ex -0.5687393E-01 Delta_ec 0.1378378E-01 Delta_et -0.1809114E+00 Pxc 0.6862811E+01 Qxc -0.4126149E+01 3,-1 82 3 +1 -0.537049 0.758634 1.564934 Rho 0.8438351E-02 |GRAD(Rho)| 0.6431064E-12 GRAD(Rho)x 0.4755202E-12 GRAD(Rho)y -0.3673533E-12 GRAD(Rho)z 0.2291679E-12 Laplacian 0.3262041E-01 (-1/4)Del**2(Rho)) -0.8155101E-02 Diamond 0.8495392E-03 Metallicity 0.7388446E+00 Ellipticity -0.1444899E+01 Gb(Abramov) 0.6440960E-02 Vb(Abramov) -0.4726818E-02 Hb(Abramov) 0.1714142E-02 Ex_ueg -0.1268806E-02 Ec_ueg -0.2977533E-03 Delta_ex -0.1482565E-02 Delta_ec 0.4580803E-03 Delta_et -0.3116480E-02 Pxc 0.4261265E+01 Qxc -0.3236473E+01 3,+1 83 3 +1 1.683075 -0.767892 0.000000 Rho 0.8742917E-02 |GRAD(Rho)| 0.2830395E-14 GRAD(Rho)x 0.3664900E-15 GRAD(Rho)y -0.1307842E-15 GRAD(Rho)z 0.2803519E-14 Laplacian 0.3530763E-01 (-1/4)Del**2(Rho)) -0.8826907E-02 Diamond 0.9480371E-03 Metallicity 0.7241667E+00 Ellipticity -0.1394181E+01 Gb(Abramov) 0.6949963E-02 Vb(Abramov) -0.5073020E-02 Hb(Abramov) 0.1876944E-02 Ex_ueg -0.1330230E-02 Ec_ueg -0.3113792E-03 Delta_ex -0.1611669E-02 Delta_ec 0.4824281E-03 Delta_et -0.3323016E-02 Pxc 0.4272060E+01 Qxc -0.3340745E+01 3,+1 84 3 +1 -0.537049 0.758634 -1.564934 Rho 0.8438351E-02 |GRAD(Rho)| 0.6431122E-12 GRAD(Rho)x 0.4755274E-12 GRAD(Rho)y -0.3673546E-12 GRAD(Rho)z -0.2291672E-12 Laplacian 0.3262041E-01 (-1/4)Del**2(Rho)) -0.8155101E-02 Diamond 0.8495392E-03 Metallicity 0.7388446E+00 Ellipticity -0.1444899E+01 Gb(Abramov) 0.6440960E-02 Vb(Abramov) -0.4726818E-02 Hb(Abramov) 0.1714142E-02 Ex_ueg -0.1268806E-02 Ec_ueg -0.2977533E-03 Delta_ex -0.1482565E-02 Delta_ec 0.4580803E-03 Delta_et -0.3116480E-02 Pxc 0.4261265E+01 Qxc -0.3236473E+01 3,+1 85 3 -1 0.876244 -0.681005 3.522183 Rho 0.1384796E+00 |GRAD(Rho)| 0.1313113E-15 GRAD(Rho)x 0.1226639E-15 GRAD(Rho)y 0.4213481E-16 GRAD(Rho)z -0.2051514E-16 Laplacian 0.5412207E+00 (-1/4)Del**2(Rho)) -0.1353052E+00 Diamond 0.9852577E+00 Metallicity 0.4719344E+01 Ellipticity 0.7505838E-01 Gb(Abramov) 0.1966287E+00 Vb(Abramov) -0.2579523E+00 Hb(Abramov) -0.6132354E-01 Ex_ueg -0.5291344E-01 Ec_ueg -0.7710170E-02 Delta_ex -0.5687393E-01 Delta_ec 0.1378378E-01 Delta_et -0.1809114E+00 Pxc 0.6862811E+01 Qxc -0.4126149E+01 3,-1 86 3 -1 0.534961 -0.036334 2.420650 Rho 0.4856831E-01 |GRAD(Rho)| 0.1611900E-15 GRAD(Rho)x 0.6790663E-17 GRAD(Rho)y 0.5518737E-17 GRAD(Rho)z -0.1609524E-15 Laplacian 0.1989575E+00 (-1/4)Del**2(Rho)) -0.4973938E-01 Diamond 0.9879088E-01 Metallicity 0.2239277E+01 Ellipticity 0.1148090E-01 Gb(Abramov) 0.5172296E-01 Vb(Abramov) -0.5370655E-01 Hb(Abramov) -0.1983582E-02 Ex_ueg -0.1308747E-01 Ec_ueg -0.2335890E-02 Delta_ex -0.1633987E-01 Delta_ec 0.6076574E-02 Delta_et -0.6362921E-01 Pxc 0.5602778E+01 Qxc -0.2688994E+01 3,-1 87 3 +3 1.160351 1.471883 0.000000 Rho 0.4219108E-02 |GRAD(Rho)| 0.1837537E-14 GRAD(Rho)x -0.5438543E-15 GRAD(Rho)y -0.1752098E-14 GRAD(Rho)z 0.1044932E-15 Laplacian 0.1654833E-01 (-1/4)Del**2(Rho)) -0.4137082E-02 Diamond 0.1023341E-03 Metallicity 0.4587331E+00 Ellipticity -0.2864203E+00 Gb(Abramov) 0.3074358E-02 Vb(Abramov) -0.2011633E-02 Hb(Abramov) 0.1062725E-02 Ex_ueg -0.5035152E-03 Ec_ueg -0.1134642E-03 Delta_ex -0.5580369E-03 Delta_ec 0.9518583E-04 Delta_et -0.6660062E-03 Pxc 0.4437658E+01 Qxc -0.5862605E+01 3,+3 88 3 +1 1.741657 0.743414 -0.000000 Rho 0.6373148E-02 |GRAD(Rho)| 0.9682999E-17 GRAD(Rho)x 0.7335718E-17 GRAD(Rho)y 0.6318905E-17 GRAD(Rho)z 0.1383696E-18 Laplacian 0.2450558E-01 (-1/4)Del**2(Rho)) -0.6126396E-02 Diamond 0.4539079E-03 Metallicity 0.6160342E+00 Ellipticity -0.1386535E+01 Gb(Abramov) 0.4713276E-02 Vb(Abramov) -0.3300155E-02 Hb(Abramov) 0.1413120E-02 Ex_ueg -0.8726842E-03 Ec_ueg -0.2064753E-03 Delta_ex -0.1050662E-02 Delta_ec 0.3659733E-03 Delta_et -0.2295738E-02 Pxc 0.4226579E+01 Qxc -0.2870871E+01 3,+1 89 3 -1 1.754731 0.819080 -1.595128 Rho 0.3407205E-01 |GRAD(Rho)| 0.4915998E-16 GRAD(Rho)x -0.4155141E-16 GRAD(Rho)y -0.1587255E-16 GRAD(Rho)z -0.2093431E-16 Laplacian 0.1382245E+00 (-1/4)Del**2(Rho)) -0.3455612E-01 Diamond 0.4190868E-01 Metallicity 0.1785221E+01 Ellipticity 0.7338110E-01 Gb(Abramov) 0.3331913E-01 Vb(Abramov) -0.3208215E-01 Hb(Abramov) 0.1236985E-02 Ex_ueg -0.8157983E-02 Ec_ueg -0.1555498E-02 Delta_ex -0.1036672E-01 Delta_ec 0.4169062E-02 Delta_et -0.3966363E-01 Pxc 0.5244611E+01 Qxc -0.2486583E+01 3,-1 90 3 -1 1.754731 0.819080 1.595128 Rho 0.3407205E-01 |GRAD(Rho)| 0.2095394E-14 GRAD(Rho)x 0.1380956E-14 GRAD(Rho)y 0.1522037E-14 GRAD(Rho)z 0.4087076E-15 Laplacian 0.1382245E+00 (-1/4)Del**2(Rho)) -0.3455612E-01 Diamond 0.4190868E-01 Metallicity 0.1785221E+01 Ellipticity 0.7338110E-01 Gb(Abramov) 0.3331913E-01 Vb(Abramov) -0.3208215E-01 Hb(Abramov) 0.1236985E-02 Ex_ueg -0.8157983E-02 Ec_ueg -0.1555498E-02 Delta_ex -0.1036672E-01 Delta_ec 0.4169062E-02 Delta_et -0.3966363E-01 Pxc 0.5244611E+01 Qxc -0.2486583E+01 3,-1 91 3 -1 1.999216 1.549092 -2.715560 Rho 0.1159889E+00 |GRAD(Rho)| 0.6810276E-15 GRAD(Rho)x 0.4837236E-15 GRAD(Rho)y 0.1556288E-15 GRAD(Rho)z 0.4534201E-15 Laplacian 0.4486106E+00 (-1/4)Del**2(Rho)) -0.1121526E+00 Diamond 0.6637921E+00 Metallicity 0.4237451E+01 Ellipticity 0.3737222E-01 Gb(Abramov) 0.1539753E+00 Vb(Abramov) -0.1957980E+00 Hb(Abramov) -0.4182267E-01 Ex_ueg -0.4177732E-01 Ec_ueg -0.6303394E-02 Delta_ex -0.4522355E-01 Delta_ec 0.1201451E-01 Delta_et -0.1533570E+00 Pxc 0.6627750E+01 Qxc -0.3764079E+01 3,-1 92 3 -1 1.999216 1.549092 2.715560 Rho 0.1159889E+00 |GRAD(Rho)| 0.1211036E-14 GRAD(Rho)x 0.8442411E-15 GRAD(Rho)y 0.6754342E-15 GRAD(Rho)z -0.5455773E-15 Laplacian 0.4486106E+00 (-1/4)Del**2(Rho)) -0.1121526E+00 Diamond 0.6637921E+00 Metallicity 0.4237451E+01 Ellipticity 0.3737222E-01 Gb(Abramov) 0.1539753E+00 Vb(Abramov) -0.1957980E+00 Hb(Abramov) -0.4182267E-01 Ex_ueg -0.4177732E-01 Ec_ueg -0.6303394E-02 Delta_ex -0.4522355E-01 Delta_ec 0.1201451E-01 Delta_et -0.1533570E+00 Pxc 0.6627750E+01 Qxc -0.3764079E+01 3,-1 93 3 +1 3.041655 0.079444 0.279958 Rho 0.5133777E-02 |GRAD(Rho)| 0.7068185E-17 GRAD(Rho)x 0.1055656E-18 GRAD(Rho)y 0.6984495E-17 GRAD(Rho)z 0.1079318E-17 Laplacian 0.2089545E-01 (-1/4)Del**2(Rho)) -0.5223863E-02 Diamond 0.4727293E-03 Metallicity 0.5038366E+00 Ellipticity -0.2295122E+01 Gb(Abramov) 0.3921237E-02 Vb(Abramov) -0.2618612E-02 Hb(Abramov) 0.1302625E-02 Ex_ueg -0.6540853E-03 Ec_ueg -0.1526743E-03 Delta_ex -0.1015386E-02 Delta_ec 0.6065062E-03 Delta_et -0.3340802E-02 Pxc 0.4284187E+01 Qxc -0.1674156E+01 3,+1 94 3 +3 2.333405 0.091713 0.000000 Rho 0.4086001E-02 |GRAD(Rho)| 0.1004034E-15 GRAD(Rho)x -0.7737817E-16 GRAD(Rho)y 0.5798449E-17 GRAD(Rho)z 0.6371692E-16 Laplacian 0.1663772E-01 (-1/4)Del**2(Rho)) -0.4159429E-02 Diamond 0.1195883E-03 Metallicity 0.4325307E+00 Ellipticity -0.3206110E+00 Gb(Abramov) 0.3072799E-02 Vb(Abramov) -0.1986170E-02 Hb(Abramov) 0.1086630E-02 Ex_ueg -0.4824471E-03 Ec_ueg -0.1077943E-03 Delta_ex -0.5818919E-03 Delta_ec 0.1414761E-03 Delta_et -0.8803419E-03 Pxc 0.4475629E+01 Qxc -0.4113003E+01 3,+3 95 3 +1 2.039119 0.024348 2.867018 Rho 0.1151691E-01 |GRAD(Rho)| 0.3852293E-11 GRAD(Rho)x 0.3593044E-11 GRAD(Rho)y 0.2767799E-13 GRAD(Rho)z -0.1389040E-11 Laplacian 0.5358476E-01 (-1/4)Del**2(Rho)) -0.1339619E-01 Diamond 0.1658593E-02 Metallicity 0.7553219E+00 Ellipticity -0.1131997E+01 Gb(Abramov) 0.1061720E-01 Vb(Abramov) -0.7838209E-02 Hb(Abramov) 0.2778991E-02 Ex_ueg -0.1920879E-02 Ec_ueg -0.4373142E-03 Delta_ex -0.2492347E-02 Delta_ec 0.4933653E-03 Delta_et -0.3821031E-02 Pxc 0.4392444E+01 Qxc -0.5051728E+01 3,+1 96 3 -1 3.023061 0.881577 -2.029729 Rho 0.1703022E+00 |GRAD(Rho)| 0.1254655E-14 GRAD(Rho)x -0.3659047E-15 GRAD(Rho)y 0.1197501E-14 GRAD(Rho)z 0.7914676E-16 Laplacian 0.6591980E+00 (-1/4)Del**2(Rho)) -0.1647995E+00 Diamond 0.1536236E+01 Metallicity 0.5469712E+01 Ellipticity 0.5874204E-01 Gb(Abramov) 0.2601006E+00 Vb(Abramov) -0.3554017E+00 Hb(Abramov) -0.9530113E-01 Ex_ueg -0.6971808E-01 Ec_ueg -0.9755576E-02 Delta_ex -0.7288943E-01 Delta_ec 0.1590148E-01 Delta_et -0.2143270E+00 Pxc 0.7146486E+01 Qxc -0.4583815E+01 3,-1 97 3 +1 3.041655 0.079444 -0.279958 Rho 0.5133777E-02 |GRAD(Rho)| 0.5904099E-17 GRAD(Rho)x -0.6385594E-19 GRAD(Rho)y -0.5862052E-17 GRAD(Rho)z 0.7004673E-18 Laplacian 0.2089545E-01 (-1/4)Del**2(Rho)) -0.5223863E-02 Diamond 0.4727293E-03 Metallicity 0.5038366E+00 Ellipticity -0.2295122E+01 Gb(Abramov) 0.3921237E-02 Vb(Abramov) -0.2618612E-02 Hb(Abramov) 0.1302625E-02 Ex_ueg -0.6540853E-03 Ec_ueg -0.1526743E-03 Delta_ex -0.1015386E-02 Delta_ec 0.6065062E-03 Delta_et -0.3340802E-02 Pxc 0.4284187E+01 Qxc -0.1674156E+01 3,+1 98 3 -1 3.023061 0.881577 2.029729 Rho 0.1703022E+00 |GRAD(Rho)| 0.1149742E-15 GRAD(Rho)x -0.9738846E-16 GRAD(Rho)y 0.5645983E-16 GRAD(Rho)z -0.2338489E-16 Laplacian 0.6591980E+00 (-1/4)Del**2(Rho)) -0.1647995E+00 Diamond 0.1536236E+01 Metallicity 0.5469712E+01 Ellipticity 0.5874204E-01 Gb(Abramov) 0.2601006E+00 Vb(Abramov) -0.3554017E+00 Hb(Abramov) -0.9530113E-01 Ex_ueg -0.6971808E-01 Ec_ueg -0.9755576E-02 Delta_ex -0.7288943E-01 Delta_ec 0.1590148E-01 Delta_et -0.2143270E+00 Pxc 0.7146486E+01 Qxc -0.4583815E+01 3,-1 99 3 -1 2.854680 1.737795 -0.883107 Rho 0.1296956E+00 |GRAD(Rho)| 0.2334095E-12 GRAD(Rho)x 0.1814462E-12 GRAD(Rho)y -0.1224474E-12 GRAD(Rho)z 0.8101815E-13 Laplacian 0.5331769E+00 (-1/4)Del**2(Rho)) -0.1332942E+00 Diamond 0.8969966E+00 Metallicity 0.4294877E+01 Ellipticity 0.2151862E-01 Gb(Abramov) 0.1842765E+00 Vb(Abramov) -0.2352589E+00 Hb(Abramov) -0.5098231E-01 Ex_ueg -0.4848628E-01 Ec_ueg -0.7156708E-02 Delta_ex -0.5514223E-01 Delta_ec 0.1379367E-01 Delta_et -0.1792168E+00 Pxc 0.6774942E+01 Qxc -0.3997649E+01 3,-1 100 3 -1 1.709889 -0.947092 -1.573915 Rho 0.4501838E-01 |GRAD(Rho)| 0.4348358E-10 GRAD(Rho)x 0.3077852E-10 GRAD(Rho)y -0.2324720E-10 GRAD(Rho)z -0.2007668E-10 Laplacian 0.1799835E+00 (-1/4)Del**2(Rho)) -0.4499587E-01 Diamond 0.8141752E-01 Metallicity 0.2181208E+01 Ellipticity 0.2182089E-01 Gb(Abramov) 0.4635480E-01 Vb(Abramov) -0.4771373E-01 Hb(Abramov) -0.1358933E-02 Ex_ueg -0.1182783E-01 Ec_ueg -0.2141417E-02 Delta_ex -0.1454454E-01 Delta_ec 0.5571450E-02 Delta_et -0.5718984E-01 Pxc 0.5523363E+01 Qxc -0.2610548E+01 3,-1 101 3 -1 1.709889 -0.947092 1.573915 Rho 0.4501838E-01 |GRAD(Rho)| 0.4348368E-10 GRAD(Rho)x 0.3077858E-10 GRAD(Rho)y -0.2324726E-10 GRAD(Rho)z 0.2007672E-10 Laplacian 0.1799835E+00 (-1/4)Del**2(Rho)) -0.4499587E-01 Diamond 0.8141752E-01 Metallicity 0.2181208E+01 Ellipticity 0.2182089E-01 Gb(Abramov) 0.4635480E-01 Vb(Abramov) -0.4771373E-01 Hb(Abramov) -0.1358933E-02 Ex_ueg -0.1182783E-01 Ec_ueg -0.2141417E-02 Delta_ex -0.1454454E-01 Delta_ec 0.5571450E-02 Delta_et -0.5718984E-01 Pxc 0.5523363E+01 Qxc -0.2610548E+01 3,-1 102 3 -1 3.258742 -2.280872 -2.215107 Rho 0.2170869E+00 |GRAD(Rho)| 0.8408547E-15 GRAD(Rho)x -0.7141640E-15 GRAD(Rho)y 0.4254138E-15 GRAD(Rho)z 0.1266077E-15 Laplacian 0.7974232E+00 (-1/4)Del**2(Rho)) -0.1993558E+00 Diamond 0.2504952E+01 Metallicity 0.6776107E+01 Ellipticity 0.1748379E-01 Gb(Abramov) 0.3580465E+00 Vb(Abramov) -0.5167373E+00 Hb(Abramov) -0.1586908E+00 Ex_ueg -0.9635993E-01 Ec_ueg -0.1286959E-01 Delta_ex -0.9389995E-01 Delta_ec 0.1819433E-01 Delta_et -0.2510628E+00 Pxc 0.7487410E+01 Qxc -0.5160947E+01 3,-1 103 3 +1 -3.034964 -0.439019 0.000000 Rho 0.5164871E-02 |GRAD(Rho)| 0.3168799E-14 GRAD(Rho)x -0.6790903E-15 GRAD(Rho)y 0.2124846E-14 GRAD(Rho)z 0.2250589E-14 Laplacian 0.2078837E-01 (-1/4)Del**2(Rho)) -0.5197093E-02 Diamond 0.3226614E-03 Metallicity 0.5115543E+00 Ellipticity -0.1341719E+01 Gb(Abramov) 0.3907828E-02 Vb(Abramov) -0.2618563E-02 Hb(Abramov) 0.1289265E-02 Ex_ueg -0.6593728E-03 Ec_ueg -0.1540148E-03 Delta_ex -0.8766935E-03 Delta_ec 0.3628935E-03 Delta_et -0.2107609E-02 Pxc 0.4281231E+01 Qxc -0.2415842E+01 3,+1 104 3 -1 -2.819822 0.908704 -1.648890 Rho 0.1905005E+00 |GRAD(Rho)| 0.2564932E-13 GRAD(Rho)x 0.1518397E-13 GRAD(Rho)y -0.7973331E-14 GRAD(Rho)z 0.1907251E-13 Laplacian 0.7605443E+00 (-1/4)Del**2(Rho)) -0.1901361E+00 Diamond 0.2009503E+01 Metallicity 0.5714554E+01 Ellipticity 0.2731513E-01 Gb(Abramov) 0.3078479E+00 Vb(Abramov) -0.4255597E+00 Hb(Abramov) -0.1177118E+00 Ex_ueg -0.8095556E-01 Ec_ueg -0.1108484E-01 Delta_ex -0.8637736E-01 Delta_ec 0.1757084E-01 Delta_et -0.2386958E+00 Pxc 0.7303269E+01 Qxc -0.4915948E+01 3,-1 105 3 -1 -2.819822 0.908704 1.648890 Rho 0.1905005E+00 |GRAD(Rho)| 0.3010926E-13 GRAD(Rho)x -0.6606721E-14 GRAD(Rho)y 0.2109174E-13 GRAD(Rho)z -0.2044645E-13 Laplacian 0.7605443E+00 (-1/4)Del**2(Rho)) -0.1901361E+00 Diamond 0.2009503E+01 Metallicity 0.5714554E+01 Ellipticity 0.2731513E-01 Gb(Abramov) 0.3078479E+00 Vb(Abramov) -0.4255597E+00 Hb(Abramov) -0.1177118E+00 Ex_ueg -0.8095556E-01 Ec_ueg -0.1108484E-01 Delta_ex -0.8637736E-01 Delta_ec 0.1757084E-01 Delta_et -0.2386958E+00 Pxc 0.7303269E+01 Qxc -0.4915948E+01 3,-1 106 3 +3 -2.384263 -0.155190 0.000000 Rho 0.4787515E-02 |GRAD(Rho)| 0.2406809E-11 GRAD(Rho)x -0.1712586E-11 GRAD(Rho)y 0.1686664E-11 GRAD(Rho)z 0.1222423E-12 Laplacian 0.1935303E-01 (-1/4)Del**2(Rho)) -0.4838257E-02 Diamond 0.1862448E-03 Metallicity 0.4842257E+00 Ellipticity -0.8315752E+00 Gb(Abramov) 0.3615973E-02 Vb(Abramov) -0.2393688E-02 Hb(Abramov) 0.1222284E-02 Ex_ueg -0.5959346E-03 Ec_ueg -0.1377802E-03 Delta_ex -0.7185832E-03 Delta_ec 0.1887180E-03 Delta_et -0.1182473E-02 Pxc 0.4325256E+01 Qxc -0.3807709E+01 3,+3 107 3 -1 -2.981657 -2.157781 -0.804612 Rho 0.1286506E+00 |GRAD(Rho)| 0.9084532E-14 GRAD(Rho)x -0.4144051E-14 GRAD(Rho)y -0.5567296E-14 GRAD(Rho)z 0.5861807E-14 Laplacian 0.4799425E+00 (-1/4)Del**2(Rho)) -0.1199856E+00 Diamond 0.8149600E+00 Metallicity 0.4707356E+01 Ellipticity 0.5061125E-01 Gb(Abramov) 0.1741263E+00 Vb(Abramov) -0.2282669E+00 Hb(Abramov) -0.5414065E-01 Ex_ueg -0.4796608E-01 Ec_ueg -0.7091200E-02 Delta_ex -0.4972710E-01 Delta_ec 0.1277528E-01 Delta_et -0.1663942E+00 Pxc 0.6764170E+01 Qxc -0.3892449E+01 3,-1 108 3 +1 -1.776832 0.021972 -2.429480 Rho 0.1104938E-01 |GRAD(Rho)| 0.1394281E-16 GRAD(Rho)x 0.1243352E-17 GRAD(Rho)y 0.1372482E-16 GRAD(Rho)z 0.2117826E-17 Laplacian 0.5336939E-01 (-1/4)Del**2(Rho)) -0.1334235E-01 Diamond 0.1948742E-02 Metallicity 0.7077572E+00 Ellipticity -0.1290001E+01 Gb(Abramov) 0.1046875E-01 Vb(Abramov) -0.7595163E-02 Hb(Abramov) 0.2873592E-02 Ex_ueg -0.1817617E-02 Ec_ueg -0.4158649E-03 Delta_ex -0.2579590E-02 Delta_ec 0.7151607E-03 Delta_et -0.5236982E-02 Pxc 0.4370691E+01 Qxc -0.3607008E+01 3,+1 109 3 +1 -1.733313 -0.083145 -0.748916 Rho 0.8770766E-02 |GRAD(Rho)| 0.3934355E-14 GRAD(Rho)x 0.2449665E-14 GRAD(Rho)y 0.2364616E-14 GRAD(Rho)z 0.1971517E-14 Laplacian 0.3350464E-01 (-1/4)Del**2(Rho)) -0.8376159E-02 Diamond 0.9867438E-03 Metallicity 0.7671921E+00 Ellipticity -0.1571951E+01 Gb(Abramov) 0.6655126E-02 Vb(Abramov) -0.4934094E-02 Hb(Abramov) 0.1721033E-02 Ex_ueg -0.1335883E-02 Ec_ueg -0.3126271E-03 Delta_ex -0.1567131E-02 Delta_ec 0.5229995E-03 Delta_et -0.3551173E-02 Pxc 0.4273087E+01 Qxc -0.2996429E+01 3,+1 110 3 +1 -1.733313 -0.083145 0.748916 Rho 0.8770766E-02 |GRAD(Rho)| 0.1317935E-13 GRAD(Rho)x -0.5896391E-14 GRAD(Rho)y -0.1120373E-13 GRAD(Rho)z 0.3661201E-14 Laplacian 0.3350464E-01 (-1/4)Del**2(Rho)) -0.8376159E-02 Diamond 0.9867438E-03 Metallicity 0.7671921E+00 Ellipticity -0.1571951E+01 Gb(Abramov) 0.6655126E-02 Vb(Abramov) -0.4934094E-02 Hb(Abramov) 0.1721033E-02 Ex_ueg -0.1335883E-02 Ec_ueg -0.3126271E-03 Delta_ex -0.1567131E-02 Delta_ec 0.5229995E-03 Delta_et -0.3551173E-02 Pxc 0.4273087E+01 Qxc -0.2996429E+01 3,+1 111 3 +1 -1.776832 0.021972 2.429480 Rho 0.1104938E-01 |GRAD(Rho)| 0.2470997E-14 GRAD(Rho)x -0.1100897E-15 GRAD(Rho)y 0.2468533E-14 GRAD(Rho)z 0.7089120E-17 Laplacian 0.5336939E-01 (-1/4)Del**2(Rho)) -0.1334235E-01 Diamond 0.1948742E-02 Metallicity 0.7077572E+00 Ellipticity -0.1290001E+01 Gb(Abramov) 0.1046875E-01 Vb(Abramov) -0.7595163E-02 Hb(Abramov) 0.2873592E-02 Ex_ueg -0.1817617E-02 Ec_ueg -0.4158649E-03 Delta_ex -0.2579590E-02 Delta_ec 0.7151607E-03 Delta_et -0.5236982E-02 Pxc 0.4370691E+01 Qxc -0.3607008E+01 3,+1 112 3 +3 -1.181766 0.010280 -1.571243 Rho 0.5215776E-02 |GRAD(Rho)| 0.7978173E-14 GRAD(Rho)x 0.4150960E-14 GRAD(Rho)y -0.1796903E-15 GRAD(Rho)z 0.6810909E-14 Laplacian 0.2025400E-01 (-1/4)Del**2(Rho)) -0.5063500E-02 Diamond 0.1499880E-03 Metallicity 0.5337041E+00 Ellipticity -0.3711876E+00 Gb(Abramov) 0.3826069E-02 Vb(Abramov) -0.2588637E-02 Hb(Abramov) 0.1237432E-02 Ex_ueg -0.6680520E-03 Ec_ueg -0.1562103E-03 Delta_ex -0.7081317E-03 Delta_ec 0.8940258E-04 Delta_et -0.7123558E-03 Pxc 0.4276620E+01 Qxc -0.7920708E+01 3,+3 113 3 +3 -1.181766 0.010280 1.571243 Rho 0.5215776E-02 |GRAD(Rho)| 0.7985767E-14 GRAD(Rho)x 0.4153295E-14 GRAD(Rho)y -0.1785949E-15 GRAD(Rho)z -0.6818410E-14 Laplacian 0.2025400E-01 (-1/4)Del**2(Rho)) -0.5063500E-02 Diamond 0.1499880E-03 Metallicity 0.5337041E+00 Ellipticity -0.3711876E+00 Gb(Abramov) 0.3826069E-02 Vb(Abramov) -0.2588637E-02 Hb(Abramov) 0.1237432E-02 Ex_ueg -0.6680520E-03 Ec_ueg -0.1562103E-03 Delta_ex -0.7081317E-03 Delta_ec 0.8940258E-04 Delta_et -0.7123558E-03 Pxc 0.4276620E+01 Qxc -0.7920708E+01 3,+3 114 3 +1 0.517144 1.499386 0.824615 Rho 0.7673874E-02 |GRAD(Rho)| 0.1474042E-13 GRAD(Rho)x 0.1308235E-13 GRAD(Rho)y 0.1458625E-14 GRAD(Rho)z 0.6633593E-14 Laplacian 0.3022709E-01 (-1/4)Del**2(Rho)) -0.7556772E-02 Diamond 0.7216417E-03 Metallicity 0.6806251E+00 Ellipticity -0.1434623E+01 Gb(Abramov) 0.5895070E-02 Vb(Abramov) -0.4233367E-02 Hb(Abramov) 0.1661703E-02 Ex_ueg -0.1117904E-02 Ec_ueg -0.2637352E-03 Delta_ex -0.1357036E-02 Delta_ec 0.4524884E-03 Delta_et -0.2980348E-02 Pxc 0.4238738E+01 Qxc -0.2999051E+01 3,+1 115 3 +1 0.517144 1.499386 -0.824615 Rho 0.7673874E-02 |GRAD(Rho)| 0.1473501E-13 GRAD(Rho)x 0.1307905E-13 GRAD(Rho)y 0.1468433E-14 GRAD(Rho)z -0.6625892E-14 Laplacian 0.3022709E-01 (-1/4)Del**2(Rho)) -0.7556772E-02 Diamond 0.7216417E-03 Metallicity 0.6806251E+00 Ellipticity -0.1434623E+01 Gb(Abramov) 0.5895070E-02 Vb(Abramov) -0.4233367E-02 Hb(Abramov) 0.1661703E-02 Ex_ueg -0.1117904E-02 Ec_ueg -0.2637352E-03 Delta_ex -0.1357036E-02 Delta_ec 0.4524884E-03 Delta_et -0.2980348E-02 Pxc 0.4238738E+01 Qxc -0.2999051E+01 3,+1 116 3 +3 0.030195 1.577505 -1.605157 Rho 0.4525729E-02 |GRAD(Rho)| 0.2393026E-14 GRAD(Rho)x -0.1442556E-14 GRAD(Rho)y -0.1192375E-14 GRAD(Rho)z 0.1491258E-14 Laplacian 0.1848361E-01 (-1/4)Del**2(Rho)) -0.4620902E-02 Diamond 0.1479239E-03 Metallicity 0.4616442E+00 Ellipticity -0.3413656E+00 Gb(Abramov) 0.3436137E-02 Vb(Abramov) -0.2251372E-02 Hb(Abramov) 0.1184765E-02 Ex_ueg -0.5528872E-03 Ec_ueg -0.1265604E-03 Delta_ex -0.6586669E-03 Delta_ec 0.1482671E-03 Delta_et -0.9585324E-03 Pxc 0.4368562E+01 Qxc -0.4442434E+01 3,+3 117 3 +3 0.030195 1.577505 1.605157 Rho 0.4525729E-02 |GRAD(Rho)| 0.2394046E-14 GRAD(Rho)x -0.1449570E-14 GRAD(Rho)y -0.1195908E-14 GRAD(Rho)z -0.1483242E-14 Laplacian 0.1848361E-01 (-1/4)Del**2(Rho)) -0.4620902E-02 Diamond 0.1479239E-03 Metallicity 0.4616442E+00 Ellipticity -0.3413656E+00 Gb(Abramov) 0.3436137E-02 Vb(Abramov) -0.2251372E-02 Hb(Abramov) 0.1184765E-02 Ex_ueg -0.5528872E-03 Ec_ueg -0.1265604E-03 Delta_ex -0.6586669E-03 Delta_ec 0.1482671E-03 Delta_et -0.9585324E-03 Pxc 0.4368562E+01 Qxc -0.4442434E+01 3,+3 118 3 -1 -0.222902 -3.374466 1.601509 Rho 0.4031251E-02 |GRAD(Rho)| 0.7198486E-17 GRAD(Rho)x 0.7092702E-17 GRAD(Rho)y 0.1222383E-17 GRAD(Rho)z -0.1324688E-18 Laplacian 0.1553036E-01 (-1/4)Del**2(Rho)) -0.3882589E-02 Diamond 0.4354426E-03 Metallicity 0.4530695E+00 Ellipticity 0.1863835E+00 Gb(Abramov) 0.2881573E-02 Vb(Abramov) -0.1880557E-02 Hb(Abramov) 0.1001016E-02 Ex_ueg -0.4738471E-03 Ec_ueg -0.1054648E-03 Delta_ex -0.9444915E-03 Delta_ec 0.8519356E-03 Delta_et -0.4186954E-02 Pxc 0.4492941E+01 Qxc -0.1108642E+01 3,-1 119 3 -1 -0.222902 -3.374466 -1.601509 Rho 0.4031251E-02 |GRAD(Rho)| 0.6636054E-17 GRAD(Rho)x -0.6570972E-17 GRAD(Rho)y -0.4304510E-18 GRAD(Rho)z -0.8211289E-18 Laplacian 0.1553036E-01 (-1/4)Del**2(Rho)) -0.3882589E-02 Diamond 0.4354426E-03 Metallicity 0.4530695E+00 Ellipticity 0.1863835E+00 Gb(Abramov) 0.2881573E-02 Vb(Abramov) -0.1880557E-02 Hb(Abramov) 0.1001016E-02 Ex_ueg -0.4738471E-03 Ec_ueg -0.1054648E-03 Delta_ex -0.9444915E-03 Delta_ec 0.8519356E-03 Delta_et -0.4186954E-02 Pxc 0.4492941E+01 Qxc -0.1108642E+01 3,-1 120 3 +1 1.383724 -0.821910 -2.299337 Rho 0.2781363E-01 |GRAD(Rho)| 0.1854577E-16 GRAD(Rho)x 0.3989679E-17 GRAD(Rho)y -0.1763807E-16 GRAD(Rho)z -0.4114145E-17 Laplacian 0.1111692E+00 (-1/4)Del**2(Rho)) -0.2779229E-01 Diamond 0.1681409E-01 Metallicity 0.1582674E+01 Ellipticity -0.3786526E+01 Gb(Abramov) 0.2585922E-01 Vb(Abramov) -0.2392614E-01 Hb(Abramov) 0.1933074E-02 Ex_ueg -0.6223889E-02 Ec_ueg -0.1231393E-02 Delta_ex -0.7112149E-02 Delta_ec 0.1882082E-02 Delta_et -0.1704929E-01 Pxc 0.5054348E+01 Qxc -0.3778874E+01 3,+1 121 3 +1 1.383724 -0.821910 2.299337 Rho 0.2781363E-01 |GRAD(Rho)| 0.5979992E-16 GRAD(Rho)x 0.8104410E-18 GRAD(Rho)y 0.1271742E-16 GRAD(Rho)z -0.5842637E-16 Laplacian 0.1111692E+00 (-1/4)Del**2(Rho)) -0.2779229E-01 Diamond 0.1681409E-01 Metallicity 0.1582674E+01 Ellipticity -0.3786526E+01 Gb(Abramov) 0.2585922E-01 Vb(Abramov) -0.2392614E-01 Hb(Abramov) 0.1933074E-02 Ex_ueg -0.6223889E-02 Ec_ueg -0.1231393E-02 Delta_ex -0.7112149E-02 Delta_ec 0.1882082E-02 Delta_et -0.1704929E-01 Pxc 0.5054348E+01 Qxc -0.3778874E+01 3,+1 122 3 -1 1.834350 2.353274 -1.555342 Rho 0.1331212E+00 |GRAD(Rho)| 0.1101354E-11 GRAD(Rho)x -0.1814649E-12 GRAD(Rho)y -0.8443031E-12 GRAD(Rho)z -0.6835232E-12 Laplacian 0.5622638E+00 (-1/4)Del**2(Rho)) -0.1405660E+00 Diamond 0.9688493E+00 Metallicity 0.4253554E+01 Ellipticity 0.1486050E-01 Gb(Abramov) 0.1933614E+00 Vb(Abramov) -0.2461569E+00 Hb(Abramov) -0.5279550E-01 Ex_ueg -0.5020129E-01 Ec_ueg -0.7371951E-02 Delta_ex -0.5843503E-01 Delta_ec 0.1430521E-01 Delta_et -0.1863325E+00 Pxc 0.6809769E+01 Qxc -0.4084877E+01 3,-1 123 3 +1 1.807418 2.487478 0.000000 Rho 0.1206449E-01 |GRAD(Rho)| 0.1651905E-12 GRAD(Rho)x 0.9029328E-13 GRAD(Rho)y 0.1383294E-12 GRAD(Rho)z -0.1917841E-17 Laplacian 0.5989145E-01 (-1/4)Del**2(Rho)) -0.1497286E-01 Diamond 0.2391602E-02 Metallicity 0.7301796E+00 Ellipticity -0.1249441E+01 Gb(Abramov) 0.1180406E-01 Vb(Abramov) -0.8635248E-02 Hb(Abramov) 0.3168808E-02 Ex_ueg -0.2043604E-02 Ec_ueg -0.4625467E-03 Delta_ex -0.2940645E-02 Delta_ec 0.7640904E-03 Delta_et -0.5747109E-02 Pxc 0.4418158E+01 Qxc -0.3848557E+01 3,+1 124 3 -1 1.834350 2.353274 1.555342 Rho 0.1331212E+00 |GRAD(Rho)| 0.8936532E-13 GRAD(Rho)x 0.7137794E-13 GRAD(Rho)y -0.4127145E-13 GRAD(Rho)z 0.3446765E-13 Laplacian 0.5622638E+00 (-1/4)Del**2(Rho)) -0.1405660E+00 Diamond 0.9688493E+00 Metallicity 0.4253554E+01 Ellipticity 0.1486050E-01 Gb(Abramov) 0.1933614E+00 Vb(Abramov) -0.2461569E+00 Hb(Abramov) -0.5279550E-01 Ex_ueg -0.5020129E-01 Ec_ueg -0.7371951E-02 Delta_ex -0.5843503E-01 Delta_ec 0.1430521E-01 Delta_et -0.1863325E+00 Pxc 0.6809769E+01 Qxc -0.4084877E+01 3,-1 125 3 +1 2.039119 0.024348 -2.867018 Rho 0.1151691E-01 |GRAD(Rho)| 0.2514244E-15 GRAD(Rho)x -0.1669550E-15 GRAD(Rho)y -0.9479331E-17 GRAD(Rho)z 0.1877509E-15 Laplacian 0.5358476E-01 (-1/4)Del**2(Rho)) -0.1339619E-01 Diamond 0.1658593E-02 Metallicity 0.7553219E+00 Ellipticity -0.1131997E+01 Gb(Abramov) 0.1061720E-01 Vb(Abramov) -0.7838209E-02 Hb(Abramov) 0.2778991E-02 Ex_ueg -0.1920879E-02 Ec_ueg -0.4373142E-03 Delta_ex -0.2492347E-02 Delta_ec 0.4933653E-03 Delta_et -0.3821031E-02 Pxc 0.4392444E+01 Qxc -0.5051728E+01 3,+1 126 3 +1 2.198644 -0.256879 -1.745125 Rho 0.2385621E-01 |GRAD(Rho)| 0.7387775E-16 GRAD(Rho)x 0.7285251E-16 GRAD(Rho)y -0.1526297E-17 GRAD(Rho)z -0.1216977E-16 Laplacian 0.9268821E-01 (-1/4)Del**2(Rho)) -0.2317205E-01 Diamond 0.1095295E-01 Metallicity 0.1469798E+01 Ellipticity -0.2900571E+01 Gb(Abramov) 0.2112441E-01 Vb(Abramov) -0.1907677E-01 Hb(Abramov) 0.2047643E-02 Ex_ueg -0.5072090E-02 Ec_ueg -0.1031300E-02 Delta_ex -0.5645423E-02 Delta_ec 0.1487625E-02 Delta_et -0.1300395E-01 Pxc 0.4918151E+01 Qxc -0.3794922E+01 3,+1 127 3 -1 3.043409 0.082694 -0.000000 Rho 0.5204163E-02 |GRAD(Rho)| 0.6538156E-17 GRAD(Rho)x 0.5755959E-18 GRAD(Rho)y 0.6500201E-17 GRAD(Rho)z 0.4044305E-18 Laplacian 0.2043583E-01 (-1/4)Del**2(Rho)) -0.5108958E-02 Diamond 0.6038568E-03 Metallicity 0.5269939E+00 Ellipticity 0.1918820E+01 Gb(Abramov) 0.3854703E-02 Vb(Abramov) -0.2600449E-02 Hb(Abramov) 0.1254254E-02 Ex_ueg -0.6660695E-03 Ec_ueg -0.1557093E-03 Delta_ex -0.1112813E-02 Delta_ec 0.8021696E-03 Delta_et -0.4345257E-02 Pxc 0.4277647E+01 Qxc -0.1387255E+01 3,-1 128 3 +1 2.198644 -0.256879 1.745125 Rho 0.2385621E-01 |GRAD(Rho)| 0.6433718E-16 GRAD(Rho)x 0.5346627E-16 GRAD(Rho)y -0.3288107E-16 GRAD(Rho)z 0.1412325E-16 Laplacian 0.9268821E-01 (-1/4)Del**2(Rho)) -0.2317205E-01 Diamond 0.1095295E-01 Metallicity 0.1469798E+01 Ellipticity -0.2900571E+01 Gb(Abramov) 0.2112441E-01 Vb(Abramov) -0.1907677E-01 Hb(Abramov) 0.2047643E-02 Ex_ueg -0.5072090E-02 Ec_ueg -0.1031300E-02 Delta_ex -0.5645423E-02 Delta_ec 0.1487625E-02 Delta_et -0.1300395E-01 Pxc 0.4918151E+01 Qxc -0.3794922E+01 3,+1 129 3 +3 1.941005 0.017245 -2.716114 Rho 0.1144662E-01 |GRAD(Rho)| 0.1505902E-16 GRAD(Rho)x -0.1496912E-17 GRAD(Rho)y 0.1179051E-16 GRAD(Rho)z 0.9247551E-17 Laplacian 0.5269034E-01 (-1/4)Del**2(Rho)) -0.1317258E-01 Diamond 0.1228504E-02 Metallicity 0.7603453E+00 Ellipticity -0.7943009E+00 Gb(Abramov) 0.1045101E-01 Vb(Abramov) -0.7729432E-02 Hb(Abramov) 0.2721576E-02 Ex_ueg -0.1905262E-02 Ec_ueg -0.4340836E-03 Delta_ex -0.2327004E-02 Delta_ec 0.2715557E-03 Delta_et -0.2337429E-02 Pxc 0.4389159E+01 Qxc -0.8569159E+01 3,+3 130 3 +3 1.941005 0.017245 2.716114 Rho 0.1144662E-01 |GRAD(Rho)| 0.6486061E-17 GRAD(Rho)x 0.3553185E-17 GRAD(Rho)y -0.5365228E-17 GRAD(Rho)z -0.8112875E-18 Laplacian 0.5269034E-01 (-1/4)Del**2(Rho)) -0.1317258E-01 Diamond 0.1228504E-02 Metallicity 0.7603453E+00 Ellipticity -0.7943009E+00 Gb(Abramov) 0.1045101E-01 Vb(Abramov) -0.7729432E-02 Hb(Abramov) 0.2721576E-02 Ex_ueg -0.1905262E-02 Ec_ueg -0.4340836E-03 Delta_ex -0.2327004E-02 Delta_ec 0.2715557E-03 Delta_et -0.2337429E-02 Pxc 0.4389159E+01 Qxc -0.8569159E+01 3,+3 131 3 -1 -3.239805 -2.185676 -2.295463 Rho 0.2167758E+00 |GRAD(Rho)| 0.2278637E-15 GRAD(Rho)x -0.2155936E-15 GRAD(Rho)y 0.4662069E-17 GRAD(Rho)z -0.7361733E-16 Laplacian 0.8031093E+00 (-1/4)Del**2(Rho)) -0.2007773E+00 Diamond 0.2514350E+01 Metallicity 0.6712072E+01 Ellipticity 0.1882485E-01 Gb(Abramov) 0.3584569E+00 Vb(Abramov) -0.5161364E+00 Hb(Abramov) -0.1576795E+00 Ex_ueg -0.9617589E-01 Ec_ueg -0.1284849E-01 Delta_ex -0.9450945E-01 Delta_ec 0.1828669E-01 Delta_et -0.2521421E+00 Pxc 0.7485386E+01 Qxc -0.5168211E+01 3,-1 132 3 -1 -3.239805 -2.185676 2.295463 Rho 0.2167758E+00 |GRAD(Rho)| 0.1261877E-11 GRAD(Rho)x 0.9917670E-12 GRAD(Rho)y 0.8473564E-13 GRAD(Rho)z -0.7755981E-12 Laplacian 0.8031093E+00 (-1/4)Del**2(Rho)) -0.2007773E+00 Diamond 0.2514350E+01 Metallicity 0.6712072E+01 Ellipticity 0.1882485E-01 Gb(Abramov) 0.3584569E+00 Vb(Abramov) -0.5161364E+00 Hb(Abramov) -0.1576795E+00 Ex_ueg -0.9617589E-01 Ec_ueg -0.1284849E-01 Delta_ex -0.9450945E-01 Delta_ec 0.1828669E-01 Delta_et -0.2521421E+00 Pxc 0.7485386E+01 Qxc -0.5168211E+01 3,-1 133 3 +3 -1.870821 2.734815 0.000000 Rho 0.1182355E-01 |GRAD(Rho)| 0.6289141E-16 GRAD(Rho)x 0.2580083E-16 GRAD(Rho)y -0.5729765E-16 GRAD(Rho)z -0.2574000E-17 Laplacian 0.5359938E-01 (-1/4)Del**2(Rho)) -0.1339985E-01 Diamond 0.1186752E-02 Metallicity 0.7889204E+00 Ellipticity -0.6972317E+00 Gb(Abramov) 0.1069513E-01 Vb(Abramov) -0.7990419E-02 Hb(Abramov) 0.2704713E-02 Ex_ueg -0.1989370E-02 Ec_ueg -0.4514296E-03 Delta_ex -0.2353864E-02 Delta_ec 0.2127425E-03 Delta_et -0.1963499E-02 Pxc 0.4406822E+01 Qxc -0.1106438E+02 3,+3 134 3 -1 1.442657 -3.054424 0.000000 Rho 0.8065102E-02 |GRAD(Rho)| 0.1743694E-16 GRAD(Rho)x -0.4516619E-18 GRAD(Rho)y -0.3310991E-17 GRAD(Rho)z 0.1711374E-16 Laplacian 0.3320219E-01 (-1/4)Del**2(Rho)) -0.8300547E-02 Diamond 0.1963798E-02 Metallicity 0.6731775E+00 Ellipticity 0.3630990E+00 Gb(Abramov) 0.6464989E-02 Vb(Abramov) -0.4629430E-02 Hb(Abramov) 0.1835559E-02 Ex_ueg -0.1194533E-02 Ec_ueg -0.2811112E-03 Delta_ex -0.2056756E-02 Delta_ec 0.1474783E-02 Delta_et -0.9080577E-02 Pxc 0.4249326E+01 Qxc -0.1394616E+01 3,-1 135 3 -1 2.978512 -0.805632 -2.011910 Rho 0.7380476E-01 |GRAD(Rho)| 0.1991593E-13 GRAD(Rho)x 0.1625887E-13 GRAD(Rho)y -0.1035883E-13 GRAD(Rho)z -0.4998808E-14 Laplacian 0.2972069E+00 (-1/4)Del**2(Rho)) -0.7430171E-01 Diamond 0.2540050E+00 Metallicity 0.3010890E+01 Ellipticity 0.8880857E-02 Gb(Abramov) 0.8682019E-01 Vb(Abramov) -0.9933868E-01 Hb(Abramov) -0.1251848E-01 Ex_ueg -0.2286463E-01 Ec_ueg -0.3767813E-02 Delta_ex -0.2697477E-01 Delta_ec 0.8746176E-02 Delta_et -0.1016916E+00 Pxc 0.6068409E+01 Qxc -0.3084179E+01 3,-1 136 3 -1 2.978512 -0.805632 2.011910 Rho 0.7380476E-01 |GRAD(Rho)| 0.1996401E-13 GRAD(Rho)x 0.1622536E-13 GRAD(Rho)y -0.1050282E-13 GRAD(Rho)z 0.4999033E-14 Laplacian 0.2972069E+00 (-1/4)Del**2(Rho)) -0.7430171E-01 Diamond 0.2540050E+00 Metallicity 0.3010890E+01 Ellipticity 0.8880857E-02 Gb(Abramov) 0.8682019E-01 Vb(Abramov) -0.9933868E-01 Hb(Abramov) -0.1251848E-01 Ex_ueg -0.2286463E-01 Ec_ueg -0.3767813E-02 Delta_ex -0.2697477E-01 Delta_ec 0.8746176E-02 Delta_et -0.1016916E+00 Pxc 0.6068409E+01 Qxc -0.3084179E+01 3,-1 137 3 +1 1.407912 0.776632 -2.250993 Rho 0.2355854E-01 |GRAD(Rho)| 0.3988668E-13 GRAD(Rho)x 0.5229420E-14 GRAD(Rho)y 0.3558706E-13 GRAD(Rho)z -0.1723836E-13 Laplacian 0.9042336E-01 (-1/4)Del**2(Rho)) -0.2260584E-01 Diamond 0.1009257E-01 Metallicity 0.1475412E+01 Ellipticity -0.2648958E+01 Gb(Abramov) 0.2062938E-01 Vb(Abramov) -0.1865292E-01 Hb(Abramov) 0.1976460E-02 Ex_ueg -0.4987883E-02 Ec_ueg -0.1016416E-02 Delta_ex -0.5440807E-02 Delta_ec 0.1365327E-02 Delta_et -0.1192347E-01 Pxc 0.4907323E+01 Qxc -0.3984985E+01 3,+1 138 3 +1 1.407912 0.776632 2.250993 Rho 0.2355854E-01 |GRAD(Rho)| 0.6601196E-17 GRAD(Rho)x -0.3058490E-17 GRAD(Rho)y -0.8228445E-18 GRAD(Rho)z -0.5791749E-17 Laplacian 0.9042336E-01 (-1/4)Del**2(Rho)) -0.2260584E-01 Diamond 0.1009257E-01 Metallicity 0.1475412E+01 Ellipticity -0.2648958E+01 Gb(Abramov) 0.2062938E-01 Vb(Abramov) -0.1865292E-01 Hb(Abramov) 0.1976460E-02 Ex_ueg -0.4987883E-02 Ec_ueg -0.1016416E-02 Delta_ex -0.5440807E-02 Delta_ec 0.1365327E-02 Delta_et -0.1192347E-01 Pxc 0.4907323E+01 Qxc -0.3984985E+01 3,+1 139 3 -1 -0.547567 -0.664264 -3.191743 Rho 0.1262588E+00 |GRAD(Rho)| 0.1925069E-11 GRAD(Rho)x -0.5906733E-14 GRAD(Rho)y -0.1924282E-11 GRAD(Rho)z -0.5470972E-13 Laplacian 0.5320105E+00 (-1/4)Del**2(Rho)) -0.1330026E+00 Diamond 0.8600442E+00 Metallicity 0.4115877E+01 Ellipticity 0.2117248E-01 Gb(Abramov) 0.1799055E+00 Vb(Abramov) -0.2268084E+00 Hb(Abramov) -0.4690287E-01 Ex_ueg -0.4678076E-01 Ec_ueg -0.6941542E-02 Delta_ex -0.5458374E-01 Delta_ec 0.1370540E-01 Delta_et -0.1770339E+00 Pxc 0.6739247E+01 Qxc -0.3982645E+01 3,-1 140 3 -1 -0.559024 -0.771958 -0.000000 Rho 0.1847144E+00 |GRAD(Rho)| 0.1068724E-12 GRAD(Rho)x 0.8001586E-13 GRAD(Rho)y -0.7084611E-13 GRAD(Rho)z 0.1634688E-17 Laplacian 0.4897480E+00 (-1/4)Del**2(Rho)) -0.1224370E+00 Diamond 0.1283602E+01 Metallicity 0.8429629E+01 Ellipticity 0.2711848E-01 Gb(Abramov) 0.2536411E+00 Vb(Abramov) -0.3848452E+00 Hb(Abramov) -0.1312041E+00 Ex_ueg -0.7769375E-01 Ec_ueg -0.1070167E-01 Delta_ex -0.5546406E-01 Delta_ec 0.1190374E-01 Delta_et -0.1628575E+00 Pxc 0.7259968E+01 Qxc -0.4659381E+01 3,-1 141 3 -1 -0.547567 -0.664264 3.191743 Rho 0.1262588E+00 |GRAD(Rho)| 0.1927157E-11 GRAD(Rho)x 0.7896055E-14 GRAD(Rho)y -0.1926271E-11 GRAD(Rho)z 0.5786449E-13 Laplacian 0.5320105E+00 (-1/4)Del**2(Rho)) -0.1330026E+00 Diamond 0.8600442E+00 Metallicity 0.4115877E+01 Ellipticity 0.2117248E-01 Gb(Abramov) 0.1799055E+00 Vb(Abramov) -0.2268084E+00 Hb(Abramov) -0.4690287E-01 Ex_ueg -0.4678076E-01 Ec_ueg -0.6941542E-02 Delta_ex -0.5458374E-01 Delta_ec 0.1370540E-01 Delta_et -0.1770339E+00 Pxc 0.6739247E+01 Qxc -0.3982645E+01 3,-1 142 3 -1 1.912704 -2.521422 -1.653882 Rho 0.2234580E+00 |GRAD(Rho)| 0.3614158E-15 GRAD(Rho)x -0.2032879E-15 GRAD(Rho)y -0.2863378E-15 GRAD(Rho)z -0.8547579E-16 Laplacian 0.8519994E+00 (-1/4)Del**2(Rho)) -0.2129999E+00 Diamond 0.2744210E+01 Metallicity 0.6655292E+01 Ellipticity 0.1507369E-01 Gb(Abramov) 0.3782626E+00 Vb(Abramov) -0.5435254E+00 Hb(Abramov) -0.1652628E+00 Ex_ueg -0.1001489E+00 Ec_ueg -0.1330311E-01 Delta_ex -0.1009217E+00 Delta_ec 0.1899854E-01 Delta_et -0.2614656E+00 Pxc 0.7528232E+01 Qxc -0.5312077E+01 3,-1 143 3 +1 1.739097 -2.748104 0.000000 Rho 0.7455220E-02 |GRAD(Rho)| 0.1808335E-14 GRAD(Rho)x 0.9057380E-15 GRAD(Rho)y 0.8494394E-15 GRAD(Rho)z 0.1314597E-14 Laplacian 0.3407622E-01 (-1/4)Del**2(Rho)) -0.8519055E-02 Diamond 0.1096806E-02 Metallicity 0.5753462E+00 Ellipticity -0.1702836E+01 Gb(Abramov) 0.6496271E-02 Vb(Abramov) -0.4473487E-02 Hb(Abramov) 0.2022784E-02 Ex_ueg -0.1075637E-02 Ec_ueg -0.2540544E-03 Delta_ex -0.1690446E-02 Delta_ec 0.8163130E-03 Delta_et -0.5092776E-02 Pxc 0.4233885E+01 Qxc -0.2070831E+01 3,+1 144 3 -1 1.912704 -2.521422 1.653882 Rho 0.2234580E+00 |GRAD(Rho)| 0.9634039E-15 GRAD(Rho)x 0.5752235E-15 GRAD(Rho)y 0.7024004E-15 GRAD(Rho)z 0.3223333E-15 Laplacian 0.8519994E+00 (-1/4)Del**2(Rho)) -0.2129999E+00 Diamond 0.2744210E+01 Metallicity 0.6655292E+01 Ellipticity 0.1507369E-01 Gb(Abramov) 0.3782626E+00 Vb(Abramov) -0.5435254E+00 Hb(Abramov) -0.1652628E+00 Ex_ueg -0.1001489E+00 Ec_ueg -0.1330311E-01 Delta_ex -0.1009217E+00 Delta_ec 0.1899854E-01 Delta_et -0.2614656E+00 Pxc 0.7528232E+01 Qxc -0.5312077E+01 3,-1 145 3 -1 2.791591 -1.688976 -0.868821 Rho 0.1299064E+00 |GRAD(Rho)| 0.5022858E-13 GRAD(Rho)x -0.9469622E-14 GRAD(Rho)y -0.1025898E-13 GRAD(Rho)z -0.4824925E-13 Laplacian 0.5205938E+00 (-1/4)Del**2(Rho)) -0.1301484E+00 Diamond 0.8832829E+00 Metallicity 0.4410609E+01 Ellipticity 0.9006466E-02 Gb(Abramov) 0.1824379E+00 Vb(Abramov) -0.2347274E+00 Hb(Abramov) -0.5228949E-01 Ex_ueg -0.4859137E-01 Ec_ueg -0.7169929E-02 Delta_ex -0.5393133E-01 Delta_ec 0.1358665E-01 Delta_et -0.1768068E+00 Pxc 0.6777106E+01 Qxc -0.3969436E+01 3,-1 146 3 -1 2.791591 -1.688976 0.868821 Rho 0.1299064E+00 |GRAD(Rho)| 0.5020231E-13 GRAD(Rho)x -0.9516463E-14 GRAD(Rho)y -0.1026704E-13 GRAD(Rho)z 0.4821096E-13 Laplacian 0.5205938E+00 (-1/4)Del**2(Rho)) -0.1301484E+00 Diamond 0.8832829E+00 Metallicity 0.4410609E+01 Ellipticity 0.9006466E-02 Gb(Abramov) 0.1824379E+00 Vb(Abramov) -0.2347274E+00 Hb(Abramov) -0.5228949E-01 Ex_ueg -0.4859137E-01 Ec_ueg -0.7169929E-02 Delta_ex -0.5393133E-01 Delta_ec 0.1358665E-01 Delta_et -0.1768068E+00 Pxc 0.6777106E+01 Qxc -0.3969436E+01 3,-1 147 3 -1 1.997290 -1.543675 -2.714524 Rho 0.1155816E+00 |GRAD(Rho)| 0.4236666E-14 GRAD(Rho)x -0.2649489E-14 GRAD(Rho)y -0.3089712E-14 GRAD(Rho)z -0.1176109E-14 Laplacian 0.4359221E+00 (-1/4)Del**2(Rho)) -0.1089805E+00 Diamond 0.6508607E+00 Metallicity 0.4335298E+01 Ellipticity 0.3182314E-01 Gb(Abramov) 0.1513975E+00 Vb(Abramov) -0.1938145E+00 Hb(Abramov) -0.4241700E-01 Ex_ueg -0.4158182E-01 Ec_ueg -0.6278236E-02 Delta_ex -0.4402851E-01 Delta_ec 0.1189990E-01 Delta_et -0.1521361E+00 Pxc 0.6623169E+01 Qxc -0.3699905E+01 3,-1 148 3 -1 1.997290 -1.543675 2.714524 Rho 0.1155816E+00 |GRAD(Rho)| 0.2121848E-15 GRAD(Rho)x 0.1745328E-15 GRAD(Rho)y 0.4123356E-17 GRAD(Rho)z 0.1205972E-15 Laplacian 0.4359221E+00 (-1/4)Del**2(Rho)) -0.1089805E+00 Diamond 0.6508607E+00 Metallicity 0.4335298E+01 Ellipticity 0.3182314E-01 Gb(Abramov) 0.1513975E+00 Vb(Abramov) -0.1938145E+00 Hb(Abramov) -0.4241700E-01 Ex_ueg -0.4158182E-01 Ec_ueg -0.6278236E-02 Delta_ex -0.4402851E-01 Delta_ec 0.1189990E-01 Delta_et -0.1521361E+00 Pxc 0.6623169E+01 Qxc -0.3699905E+01 3,-1 149 3 -1 -2.981657 -2.157781 0.804612 Rho 0.1286506E+00 |GRAD(Rho)| 0.1819531E-13 GRAD(Rho)x -0.6328827E-14 GRAD(Rho)y -0.8882462E-15 GRAD(Rho)z 0.1703603E-13 Laplacian 0.4799425E+00 (-1/4)Del**2(Rho)) -0.1199856E+00 Diamond 0.8149600E+00 Metallicity 0.4707356E+01 Ellipticity 0.5061125E-01 Gb(Abramov) 0.1741263E+00 Vb(Abramov) -0.2282669E+00 Hb(Abramov) -0.5414065E-01 Ex_ueg -0.4796608E-01 Ec_ueg -0.7091200E-02 Delta_ex -0.4972710E-01 Delta_ec 0.1277528E-01 Delta_et -0.1663942E+00 Pxc 0.6764170E+01 Qxc -0.3892449E+01 3,-1 150 3 +1 -2.232458 -1.847421 -0.000000 Rho 0.3102018E-01 |GRAD(Rho)| 0.1246476E-15 GRAD(Rho)x 0.1155953E-15 GRAD(Rho)y 0.4491304E-16 GRAD(Rho)z 0.1255249E-16 Laplacian 0.1331014E+00 (-1/4)Del**2(Rho)) -0.3327534E-01 Diamond 0.2696917E-01 Metallicity 0.1585518E+01 Ellipticity -0.2530565E+03 Gb(Abramov) 0.3097667E-01 Vb(Abramov) -0.2867800E-01 Hb(Abramov) 0.2298672E-02 Ex_ueg -0.7198535E-02 Ec_ueg -0.1396348E-02 Delta_ex -0.9060629E-02 Delta_ec 0.2772685E-02 Delta_et -0.2574490E-01 Pxc 0.5155257E+01 Qxc -0.3267818E+01 3,+1 151 3 -1 -1.790580 -1.664680 2.318118 Rho 0.1258774E+00 |GRAD(Rho)| 0.3125466E-15 GRAD(Rho)x 0.2922128E-15 GRAD(Rho)y 0.9424427E-16 GRAD(Rho)z 0.5843850E-16 Laplacian 0.5159530E+00 (-1/4)Del**2(Rho)) -0.1289882E+00 Diamond 0.8416663E+00 Metallicity 0.4222626E+01 Ellipticity 0.1341355E-01 Gb(Abramov) 0.1767704E+00 Vb(Abramov) -0.2245525E+00 Hb(Abramov) -0.4778211E-01 Ex_ueg -0.4659243E-01 Ec_ueg -0.6917713E-02 Delta_ex -0.5303109E-01 Delta_ec 0.1353972E-01 Delta_et -0.1752425E+00 Pxc 0.6735237E+01 Qxc -0.3916704E+01 3,-1 152 3 +1 -2.002407 2.950758 0.000000 Rho 0.1201929E-01 |GRAD(Rho)| 0.2355740E-14 GRAD(Rho)x -0.1505375E-14 GRAD(Rho)y 0.1811949E-14 GRAD(Rho)z 0.1415662E-16 Laplacian 0.5553324E-01 (-1/4)Del**2(Rho)) -0.1388331E-01 Diamond 0.1838522E-02 Metallicity 0.7825735E+00 Ellipticity -0.1164781E+01 Gb(Abramov) 0.1106632E-01 Vb(Abramov) -0.8249340E-02 Hb(Abramov) 0.2816985E-02 Ex_ueg -0.2033404E-02 Ec_ueg -0.4604598E-03 Delta_ex -0.2617936E-02 Delta_ec 0.5192037E-03 Delta_et -0.4049497E-02 Pxc 0.4416030E+01 Qxc -0.5042213E+01 3,+1 153 3 -1 -0.835461 3.568451 -0.715104 Rho 0.1543433E+00 |GRAD(Rho)| 0.2505730E-14 GRAD(Rho)x 0.1549393E-14 GRAD(Rho)y 0.6361404E-15 GRAD(Rho)z 0.1863703E-14 Laplacian 0.5958314E+00 (-1/4)Del**2(Rho)) -0.1489578E+00 Diamond 0.1239431E+01 Metallicity 0.5136132E+01 Ellipticity 0.5893651E-01 Gb(Abramov) 0.2268164E+00 Vb(Abramov) -0.3046750E+00 Hb(Abramov) -0.7785859E-01 Ex_ueg -0.6114611E-01 Ec_ueg -0.8722127E-02 Delta_ex -0.6434089E-01 Delta_ec 0.1483684E-01 Delta_et -0.1978623E+00 Pxc 0.7010459E+01 Qxc -0.4336564E+01 3,-1 154 3 -1 -0.835461 3.568451 0.715104 Rho 0.1543433E+00 |GRAD(Rho)| 0.7068960E-15 GRAD(Rho)x -0.6215189E-16 GRAD(Rho)y 0.7464054E-16 GRAD(Rho)z -0.7001913E-15 Laplacian 0.5958314E+00 (-1/4)Del**2(Rho)) -0.1489578E+00 Diamond 0.1239431E+01 Metallicity 0.5136132E+01 Ellipticity 0.5893651E-01 Gb(Abramov) 0.2268164E+00 Vb(Abramov) -0.3046750E+00 Hb(Abramov) -0.7785859E-01 Ex_ueg -0.6114611E-01 Ec_ueg -0.8722127E-02 Delta_ex -0.6434089E-01 Delta_ec 0.1483684E-01 Delta_et -0.1978623E+00 Pxc 0.7010459E+01 Qxc -0.4336564E+01 3,-1 155 3 -1 -1.755845 1.559763 0.848116 Rho 0.4502315E-01 |GRAD(Rho)| 0.2251174E-12 GRAD(Rho)x -0.1044922E-12 GRAD(Rho)y 0.1768161E-12 GRAD(Rho)z -0.9216988E-13 Laplacian 0.1832903E+00 (-1/4)Del**2(Rho)) -0.4582258E-01 Diamond 0.8236622E-01 Metallicity 0.2142234E+01 Ellipticity 0.1117591E-01 Gb(Abramov) 0.4690883E-01 Vb(Abramov) -0.4799508E-01 Hb(Abramov) -0.1086252E-02 Ex_ueg -0.1182950E-01 Ec_ueg -0.2141677E-02 Delta_ex -0.1478444E-01 Delta_ec 0.5624329E-02 Delta_et -0.5772476E-01 Pxc 0.5523473E+01 Qxc -0.2628658E+01 3,-1 156 3 -1 -1.755845 1.559763 -0.848116 Rho 0.4502315E-01 |GRAD(Rho)| 0.2250635E-12 GRAD(Rho)x -0.1044283E-12 GRAD(Rho)y 0.1767751E-12 GRAD(Rho)z 0.9218923E-13 Laplacian 0.1832903E+00 (-1/4)Del**2(Rho)) -0.4582258E-01 Diamond 0.8236622E-01 Metallicity 0.2142234E+01 Ellipticity 0.1117591E-01 Gb(Abramov) 0.4690883E-01 Vb(Abramov) -0.4799508E-01 Hb(Abramov) -0.1086252E-02 Ex_ueg -0.1182950E-01 Ec_ueg -0.2141677E-02 Delta_ex -0.1478444E-01 Delta_ec 0.5624329E-02 Delta_et -0.5772476E-01 Pxc 0.5523473E+01 Qxc -0.2628658E+01 3,-1 157 3 -1 -1.814675 1.570774 -2.351399 Rho 0.1323398E+00 |GRAD(Rho)| 0.3404803E-15 GRAD(Rho)x 0.2806322E-15 GRAD(Rho)y -0.6028164E-16 GRAD(Rho)z -0.1831353E-15 Laplacian 0.5429309E+00 (-1/4)Del**2(Rho)) -0.1357327E+00 Diamond 0.9404999E+00 Metallicity 0.4362004E+01 Ellipticity 0.1133110E-01 Gb(Abramov) 0.1891663E+00 Vb(Abramov) -0.2425998E+00 Hb(Abramov) -0.5343355E-01 Ex_ueg -0.4980876E-01 Ec_ueg -0.7322783E-02 Delta_ex -0.5648114E-01 Delta_ec 0.1407604E-01 Delta_et -0.1836597E+00 Pxc 0.6801889E+01 Qxc -0.4012573E+01 3,-1 158 3 +1 0.616616 -2.320906 0.000000 Rho 0.2958593E-02 |GRAD(Rho)| 0.4161096E-15 GRAD(Rho)x -0.3521264E-15 GRAD(Rho)y 0.2217037E-15 GRAD(Rho)z 0.1293993E-17 Laplacian 0.1146907E-01 (-1/4)Del**2(Rho)) -0.2867268E-02 Diamond 0.7606242E-04 Metallicity 0.3663479E+00 Ellipticity -0.1125567E+01 Gb(Abramov) 0.2086582E-02 Vb(Abramov) -0.1305895E-02 Hb(Abramov) 0.7806865E-03 Ex_ueg -0.3136886E-03 Ec_ueg -0.6014912E-04 Delta_ex -0.4124039E-03 Delta_ec 0.1736455E-03 Delta_et -0.8826902E-03 Pxc 0.5215183E+01 Qxc -0.2374976E+01 3,+1 159 3 -1 -0.060427 0.002142 -4.481645 Rho 0.2242076E+00 |GRAD(Rho)| 0.9927621E-15 GRAD(Rho)x 0.6967354E-16 GRAD(Rho)y 0.2787585E-17 GRAD(Rho)z 0.9903103E-15 Laplacian 0.8274994E+00 (-1/4)Del**2(Rho)) -0.2068748E+00 Diamond 0.2695769E+01 Metallicity 0.6890690E+01 Ellipticity 0.9273184E-03 Gb(Abramov) 0.3755016E+00 Vb(Abramov) -0.5441284E+00 Hb(Abramov) -0.1686268E+00 Ex_ueg -0.1005971E+00 Ec_ueg -0.1335427E-01 Delta_ex -0.9821972E-01 Delta_ec 0.1863952E-01 Delta_et -0.2574052E+00 Pxc 0.7532957E+01 Qxc -0.5269434E+01 3,-1 160 3 -1 0.423326 -0.096611 -0.657579 Rho 0.1788350E+00 |GRAD(Rho)| 0.6846483E-13 GRAD(Rho)x -0.2665576E-13 GRAD(Rho)y -0.1731520E-13 GRAD(Rho)z 0.6063899E-13 Laplacian 0.4644808E+00 (-1/4)Del**2(Rho)) -0.1161202E+00 Diamond 0.1187333E+01 Metallicity 0.8421697E+01 Ellipticity 0.4840802E-02 Gb(Abramov) 0.2404016E+00 Vb(Abramov) -0.3646831E+00 Hb(Abramov) -0.1242814E+00 Ex_ueg -0.7441407E-01 Ec_ueg -0.1031427E-01 Delta_ex -0.5230512E-01 Delta_ec 0.1161589E-01 Delta_et -0.1590464E+00 Pxc 0.7214674E+01 Qxc -0.4502892E+01 3,-1 161 3 -1 0.423326 -0.096611 0.657579 Rho 0.1788350E+00 |GRAD(Rho)| 0.6806698E-13 GRAD(Rho)x -0.2642331E-13 GRAD(Rho)y -0.1731449E-13 GRAD(Rho)z -0.6029205E-13 Laplacian 0.4644808E+00 (-1/4)Del**2(Rho)) -0.1161202E+00 Diamond 0.1187333E+01 Metallicity 0.8421697E+01 Ellipticity 0.4840802E-02 Gb(Abramov) 0.2404016E+00 Vb(Abramov) -0.3646831E+00 Hb(Abramov) -0.1242814E+00 Ex_ueg -0.7441407E-01 Ec_ueg -0.1031427E-01 Delta_ex -0.5230512E-01 Delta_ec 0.1161589E-01 Delta_et -0.1590464E+00 Pxc 0.7214674E+01 Qxc -0.4502892E+01 3,-1 162 3 -1 -3.203841 2.213665 -2.309464 Rho 0.2197242E+00 |GRAD(Rho)| 0.1597085E-11 GRAD(Rho)x 0.1062343E-11 GRAD(Rho)y -0.6472832E-12 GRAD(Rho)z 0.1001564E-11 Laplacian 0.8060337E+00 (-1/4)Del**2(Rho)) -0.2015084E+00 Diamond 0.2562625E+01 Metallicity 0.6840007E+01 Ellipticity 0.7400586E-02 Gb(Abramov) 0.3640588E+00 Vb(Abramov) -0.5266091E+00 Hb(Abramov) -0.1625503E+00 Ex_ueg -0.9792396E-01 Ec_ueg -0.1304878E-01 Delta_ex -0.9517184E-01 Delta_ec 0.1825930E-01 Delta_et -0.2518711E+00 Pxc 0.7504454E+01 Qxc -0.5212240E+01 3,-1 163 3 -1 -2.992344 2.080529 -0.808141 Rho 0.1271472E+00 |GRAD(Rho)| 0.4164574E-15 GRAD(Rho)x 0.1742177E-15 GRAD(Rho)y -0.5220433E-16 GRAD(Rho)z -0.3746461E-15 Laplacian 0.4879878E+00 (-1/4)Del**2(Rho)) -0.1219970E+00 Diamond 0.8082904E+00 Metallicity 0.4539926E+01 Ellipticity 0.4918456E-01 Gb(Abramov) 0.1736408E+00 Vb(Abramov) -0.2252847E+00 Hb(Abramov) -0.5164387E-01 Ex_ueg -0.4722015E-01 Ec_ueg -0.6997084E-02 Delta_ex -0.5031012E-01 Delta_ec 0.1283256E-01 Delta_et -0.1664686E+00 Pxc 0.6748547E+01 Qxc -0.3920505E+01 3,-1 164 3 -1 -2.992344 2.080529 0.808141 Rho 0.1271472E+00 |GRAD(Rho)| 0.5145540E-14 GRAD(Rho)x 0.1623776E-14 GRAD(Rho)y -0.1066980E-14 GRAD(Rho)z 0.4764608E-14 Laplacian 0.4879878E+00 (-1/4)Del**2(Rho)) -0.1219970E+00 Diamond 0.8082904E+00 Metallicity 0.4539926E+01 Ellipticity 0.4918456E-01 Gb(Abramov) 0.1736408E+00 Vb(Abramov) -0.2252847E+00 Hb(Abramov) -0.5164387E-01 Ex_ueg -0.4722015E-01 Ec_ueg -0.6997084E-02 Delta_ex -0.5031012E-01 Delta_ec 0.1283256E-01 Delta_et -0.1664686E+00 Pxc 0.6748547E+01 Qxc -0.3920505E+01 3,-1 165 3 -1 -3.203841 2.213665 2.309464 Rho 0.2197242E+00 |GRAD(Rho)| 0.2099952E-15 GRAD(Rho)x -0.1850191E-15 GRAD(Rho)y -0.9893345E-16 GRAD(Rho)z -0.8836248E-17 Laplacian 0.8060337E+00 (-1/4)Del**2(Rho)) -0.2015084E+00 Diamond 0.2562625E+01 Metallicity 0.6840007E+01 Ellipticity 0.7400586E-02 Gb(Abramov) 0.3640588E+00 Vb(Abramov) -0.5266091E+00 Hb(Abramov) -0.1625503E+00 Ex_ueg -0.9792396E-01 Ec_ueg -0.1304878E-01 Delta_ex -0.9517184E-01 Delta_ec 0.1825930E-01 Delta_et -0.2518711E+00 Pxc 0.7504454E+01 Qxc -0.5212240E+01 3,-1 166 3 -1 -0.540912 0.709256 -3.217644 Rho 0.1278106E+00 |GRAD(Rho)| 0.3550593E-15 GRAD(Rho)x 0.3063955E-15 GRAD(Rho)y -0.1348138E-15 GRAD(Rho)z -0.1183813E-15 Laplacian 0.5269686E+00 (-1/4)Del**2(Rho)) -0.1317421E+00 Diamond 0.8684291E+00 Metallicity 0.4240724E+01 Ellipticity 0.1306917E-01 Gb(Abramov) 0.1809418E+00 Vb(Abramov) -0.2301414E+00 Hb(Abramov) -0.4919963E-01 Ex_ueg -0.4754896E-01 Ec_ueg -0.7038597E-02 Delta_ex -0.5427488E-01 Delta_ec 0.1362242E-01 Delta_et -0.1764685E+00 Pxc 0.6755459E+01 Qxc -0.3984231E+01 3,-1 167 3 -1 -0.540912 0.709256 3.217644 Rho 0.1278106E+00 |GRAD(Rho)| 0.2538788E-15 GRAD(Rho)x 0.2258664E-15 GRAD(Rho)y 0.9669728E-16 GRAD(Rho)z 0.6394082E-16 Laplacian 0.5269686E+00 (-1/4)Del**2(Rho)) -0.1317421E+00 Diamond 0.8684291E+00 Metallicity 0.4240724E+01 Ellipticity 0.1306917E-01 Gb(Abramov) 0.1809418E+00 Vb(Abramov) -0.2301414E+00 Hb(Abramov) -0.4919963E-01 Ex_ueg -0.4754896E-01 Ec_ueg -0.7038597E-02 Delta_ex -0.5427488E-01 Delta_ec 0.1362242E-01 Delta_et -0.1764685E+00 Pxc 0.6755459E+01 Qxc -0.3984231E+01 3,-1 168 3 -1 -0.060427 0.002142 4.481645 Rho 0.2242076E+00 |GRAD(Rho)| 0.5757942E-14 GRAD(Rho)x -0.3675107E-14 GRAD(Rho)y 0.2802176E-14 GRAD(Rho)z 0.3434427E-14 Laplacian 0.8274994E+00 (-1/4)Del**2(Rho)) -0.2068748E+00 Diamond 0.2695769E+01 Metallicity 0.6890690E+01 Ellipticity 0.9273184E-03 Gb(Abramov) 0.3755016E+00 Vb(Abramov) -0.5441284E+00 Hb(Abramov) -0.1686268E+00 Ex_ueg -0.1005971E+00 Ec_ueg -0.1335427E-01 Delta_ex -0.9821972E-01 Delta_ec 0.1863952E-01 Delta_et -0.2574052E+00 Pxc 0.7532957E+01 Qxc -0.5269434E+01 3,-1 169 3 -1 -0.520129 0.590906 -0.000000 Rho 0.1782355E+00 |GRAD(Rho)| 0.2318261E-13 GRAD(Rho)x 0.1259062E-13 GRAD(Rho)y -0.1946360E-13 GRAD(Rho)z 0.2791874E-15 Laplacian 0.4611322E+00 (-1/4)Del**2(Rho)) -0.1152830E+00 Diamond 0.1169326E+01 Metallicity 0.8435511E+01 Ellipticity 0.3336156E-02 Gb(Abramov) 0.2389339E+00 Vb(Abramov) -0.3625848E+00 Hb(Abramov) -0.1236509E+00 Ex_ueg -0.7408165E-01 Ec_ueg -0.1027488E-01 Delta_ex -0.5184723E-01 Delta_ec 0.1147571E-01 Delta_et -0.1568761E+00 Pxc 0.7209979E+01 Qxc -0.4517998E+01 3,-1 170 3 -1 0.543820 3.240664 -0.672424 Rho 0.1221791E+00 |GRAD(Rho)| 0.1173090E-15 GRAD(Rho)x -0.8837603E-16 GRAD(Rho)y -0.3107256E-16 GRAD(Rho)z 0.7060867E-16 Laplacian 0.5024141E+00 (-1/4)Del**2(Rho)) -0.1256035E+00 Diamond 0.7894429E+00 Metallicity 0.4126163E+01 Ellipticity 0.1519579E-01 Gb(Abramov) 0.1701125E+00 Vb(Abramov) -0.2146214E+00 Hb(Abramov) -0.4450893E-01 Ex_ueg -0.4477625E-01 Ec_ueg -0.6687166E-02 Delta_ex -0.5125448E-01 Delta_ec 0.1324788E-01 Delta_et -0.1705591E+00 Pxc 0.6695849E+01 Qxc -0.3868883E+01 3,-1 171 3 -1 0.543820 3.240664 0.672424 Rho 0.1221791E+00 |GRAD(Rho)| 0.2325611E-15 GRAD(Rho)x 0.1433451E-15 GRAD(Rho)y -0.4316141E-16 GRAD(Rho)z 0.1779718E-15 Laplacian 0.5024141E+00 (-1/4)Del**2(Rho)) -0.1256035E+00 Diamond 0.7894429E+00 Metallicity 0.4126163E+01 Ellipticity 0.1519579E-01 Gb(Abramov) 0.1701125E+00 Vb(Abramov) -0.2146214E+00 Hb(Abramov) -0.4450893E-01 Ex_ueg -0.4477625E-01 Ec_ueg -0.6687166E-02 Delta_ex -0.5125448E-01 Delta_ec 0.1324788E-01 Delta_et -0.1705591E+00 Pxc 0.6695849E+01 Qxc -0.3868883E+01 3,-1 172 3 -1 3.258742 -2.280872 2.215107 Rho 0.2170869E+00 |GRAD(Rho)| 0.4237787E-15 GRAD(Rho)x -0.3881444E-16 GRAD(Rho)y 0.4205078E-15 GRAD(Rho)z 0.3542631E-16 Laplacian 0.7974232E+00 (-1/4)Del**2(Rho)) -0.1993558E+00 Diamond 0.2504952E+01 Metallicity 0.6776107E+01 Ellipticity 0.1748379E-01 Gb(Abramov) 0.3580465E+00 Vb(Abramov) -0.5167373E+00 Hb(Abramov) -0.1586908E+00 Ex_ueg -0.9635993E-01 Ec_ueg -0.1286959E-01 Delta_ex -0.9389995E-01 Delta_ec 0.1819433E-01 Delta_et -0.2510628E+00 Pxc 0.7487410E+01 Qxc -0.5160947E+01 3,-1 173 3 -1 -1.814675 1.570774 2.351399 Rho 0.1323398E+00 |GRAD(Rho)| 0.5424526E-15 GRAD(Rho)x 0.4057491E-15 GRAD(Rho)y -0.1708228E-15 GRAD(Rho)z 0.3169258E-15 Laplacian 0.5429309E+00 (-1/4)Del**2(Rho)) -0.1357327E+00 Diamond 0.9404999E+00 Metallicity 0.4362004E+01 Ellipticity 0.1133110E-01 Gb(Abramov) 0.1891663E+00 Vb(Abramov) -0.2425998E+00 Hb(Abramov) -0.5343355E-01 Ex_ueg -0.4980876E-01 Ec_ueg -0.7322783E-02 Delta_ex -0.5648114E-01 Delta_ec 0.1407604E-01 Delta_et -0.1836597E+00 Pxc 0.6801889E+01 Qxc -0.4012573E+01 3,-1 174 3 -1 0.845055 0.733434 -3.511050 Rho 0.1408022E+00 |GRAD(Rho)| 0.7258037E-13 GRAD(Rho)x -0.1931468E-13 GRAD(Rho)y 0.6993740E-13 GRAD(Rho)z 0.1901011E-14 Laplacian 0.5470331E+00 (-1/4)Del**2(Rho)) -0.1367583E+00 Diamond 0.1017890E+01 Metallicity 0.4800452E+01 Ellipticity 0.6396807E-01 Gb(Abramov) 0.2005891E+00 Vb(Abramov) -0.2644199E+00 Hb(Abramov) -0.6383083E-01 Ex_ueg -0.5410006E-01 Ec_ueg -0.7857350E-02 Delta_ex -0.5773993E-01 Delta_ec 0.1391288E-01 Delta_et -0.1831348E+00 Pxc 0.6885282E+01 Qxc -0.4150105E+01 3,-1 175 3 -1 0.845055 0.733434 3.511050 Rho 0.1408022E+00 |GRAD(Rho)| 0.1869364E-13 GRAD(Rho)x -0.1011634E-13 GRAD(Rho)y -0.7817125E-14 GRAD(Rho)z 0.1363835E-13 Laplacian 0.5470331E+00 (-1/4)Del**2(Rho)) -0.1367583E+00 Diamond 0.1017890E+01 Metallicity 0.4800452E+01 Ellipticity 0.6396807E-01 Gb(Abramov) 0.2005891E+00 Vb(Abramov) -0.2644199E+00 Hb(Abramov) -0.6383083E-01 Ex_ueg -0.5410006E-01 Ec_ueg -0.7857350E-02 Delta_ex -0.5773993E-01 Delta_ec 0.1391288E-01 Delta_et -0.1831348E+00 Pxc 0.6885282E+01 Qxc -0.4150105E+01 3,-1 176 3 -1 2.854680 1.737795 0.883107 Rho 0.1296956E+00 |GRAD(Rho)| 0.4196321E-15 GRAD(Rho)x 0.2525513E-16 GRAD(Rho)y -0.7833234E-16 GRAD(Rho)z -0.4114818E-15 Laplacian 0.5331769E+00 (-1/4)Del**2(Rho)) -0.1332942E+00 Diamond 0.8969966E+00 Metallicity 0.4294877E+01 Ellipticity 0.2151862E-01 Gb(Abramov) 0.1842765E+00 Vb(Abramov) -0.2352589E+00 Hb(Abramov) -0.5098231E-01 Ex_ueg -0.4848628E-01 Ec_ueg -0.7156708E-02 Delta_ex -0.5514223E-01 Delta_ec 0.1379367E-01 Delta_et -0.1792168E+00 Pxc 0.6774942E+01 Qxc -0.3997649E+01 3,-1 177 3 -1 3.203935 2.366635 -2.235518 Rho 0.2234276E+00 |GRAD(Rho)| 0.8376959E-14 GRAD(Rho)x -0.5459608E-14 GRAD(Rho)y 0.5274915E-14 GRAD(Rho)z -0.3541384E-14 Laplacian 0.8010618E+00 (-1/4)Del**2(Rho)) -0.2002655E+00 Diamond 0.2616201E+01 Metallicity 0.7076881E+01 Ellipticity 0.8733410E-02 Gb(Abramov) 0.3697194E+00 Vb(Abramov) -0.5391734E+00 Hb(Abramov) -0.1694540E+00 Ex_ueg -0.1001308E+00 Ec_ueg -0.1330104E-01 Delta_ex -0.9509824E-01 Delta_ec 0.1824478E-01 Delta_et -0.2526445E+00 Pxc 0.7528040E+01 Qxc -0.5212354E+01 3,-1 178 3 -1 3.203935 2.366635 2.235518 Rho 0.2234276E+00 |GRAD(Rho)| 0.8817476E-14 GRAD(Rho)x -0.4844920E-14 GRAD(Rho)y 0.6085789E-14 GRAD(Rho)z 0.4151844E-14 Laplacian 0.8010618E+00 (-1/4)Del**2(Rho)) -0.2002655E+00 Diamond 0.2616201E+01 Metallicity 0.7076881E+01 Ellipticity 0.8733410E-02 Gb(Abramov) 0.3697194E+00 Vb(Abramov) -0.5391734E+00 Hb(Abramov) -0.1694540E+00 Ex_ueg -0.1001308E+00 Ec_ueg -0.1330104E-01 Delta_ex -0.9509824E-01 Delta_ec 0.1824478E-01 Delta_et -0.2526445E+00 Pxc 0.7528040E+01 Qxc -0.5212354E+01 3,-1 179 3 -1 0.079322 4.546152 0.000000 Rho 0.2216343E+00 |GRAD(Rho)| 0.2795922E-13 GRAD(Rho)x 0.2358819E-13 GRAD(Rho)y -0.1501051E-13 GRAD(Rho)z -0.4333865E-17 Laplacian 0.8022119E+00 (-1/4)Del**2(Rho)) -0.2005530E+00 Diamond 0.2586252E+01 Metallicity 0.6972453E+01 Ellipticity 0.5070549E-04 Gb(Abramov) 0.3667597E+00 Vb(Abramov) -0.5329664E+00 Hb(Abramov) -0.1662067E+00 Ex_ueg -0.9906060E-01 Ec_ueg -0.1317879E-01 Delta_ex -0.9498669E-01 Delta_ec 0.1822390E-01 Delta_et -0.2518867E+00 Pxc 0.7516669E+01 Qxc -0.5212205E+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 86 167 141 175 85 168 161 140 160 169 80 139 166 81 174 159 72 171 170 154 153 179 101 146 144 136 148 172 89 99 122 96 91 177 156 104 157 163 68 162 52 64 151 149 57 132 67 63 66 107 56 131 155 105 173 164 76 165 90 176 124 98 92 178 100 145 142 135 147 102 127 134 119 75 69 118 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 2.364006 1.954778 1.956522 1.926296 1.933243 1.742160 1.716785 1.700957 1.716785 1.717828 2.364006 1.956522 1.954778 1.933243 1.926296 1.742160 2.449789 1.973315 1.973315 1.890575 1.890575 1.747167 2.394278 1.949544 1.744197 2.191949 2.008785 1.755365 2.510932 1.948196 1.937706 1.852076 2.004611 1.744205 2.394916 1.800687 1.941100 1.969293 2.080616 1.750430 2.325102 2.284982 1.958647 1.965334 1.748586 1.755864 2.325102 2.284982 1.958647 1.965334 1.748586 1.755864 2.394916 1.800687 1.941100 1.969293 2.080616 1.750430 2.510932 1.948196 1.937706 1.852076 2.004611 1.744205 2.394278 1.949544 1.744197 2.191949 2.008785 1.755365 3.279089 2.969114 3.298303 3.225360 3.225360 3.298303 2.365689 1.955468 1.957082 1.926967 1.933953 1.742184 1.716819 1.700990 1.716819 1.717838 2.365694 1.957095 1.955470 1.933957 1.926969 1.742184 2.451666 1.973949 1.973949 1.891141 1.891138 1.747180 2.396249 1.950155 1.744273 2.192608 2.009441 1.755400 2.512494 1.948782 1.938425 1.852638 2.005282 1.744215 2.396605 1.801069 1.941603 1.969978 2.081350 1.750444 2.327530 2.285445 1.959226 1.966106 1.748609 1.755901 2.327530 2.285445 1.959235 1.966107 1.748611 1.755902 2.396606 1.801070 1.941602 1.969977 2.081350 1.750454 2.512493 1.948781 1.938424 1.852638 2.005227 1.744215 2.396250 1.950156 1.744271 2.192653 2.009439 1.755400 3.281381 2.976166 3.301156 3.228146 3.228146 3.301156 27 23 23 23 26 21 20 21 20 20 30 24 23 26 23 21 33 23 23 24 23 20 27 23 22 25 23 23 29 25 28 22 27 20 27 23 23 23 26 21 27 27 23 23 23 23 27 27 25 23 23 23 27 22 23 23 28 23 29 23 29 22 23 20 27 23 22 29 23 23 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 As 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 2.2833 2.3639 2.2833 2.2690 2.1867 2.2577 2.2785 2.2115 2.2115 2.2785 2.2577 2.1867 -1.1138 -1.0334 -1.1138 -1.1064 -0.8528 -0.9512 -0.8528 -0.9197 -0.7018 -0.9144 -0.9329 -0.9186 -0.9186 -0.9329 -0.9144 -0.7018 -0.8979 -0.9529 -0.8979 -0.9357 -0.9164 -0.9277 -0.9187 -0.7451 -0.7451 -0.9187 -0.9277 -0.9164 -0.7507 -0.7835 -0.7507 -0.7765 -0.7835 -0.7657 -0.7781 -0.7783 -0.7783 -0.7781 -0.7657 1.9262 0.8392 1.9262 1.9382 1.9715 1.9386 1.9225 1.9864 1.9864 1.9225 1.9386 1.9715 1.9399 1.9467 1.9399 1.9371 1.9596 1.9397 1.9596 1.9373 1.9793 1.9384 1.9380 1.9382 1.9382 1.9380 1.9384 1.9793 1.9518 1.9425 1.9518 1.9447 1.9441 1.9452 1.9466 1.9680 1.9680 1.9466 1.9452 1.9441 1.9691 1.9649 1.9691 1.9656 1.9649 1.9680 1.9656 1.9645 1.9645 1.9656 1.9680 6.1059 1.2430 6.1059 6.1006 6.1239 6.1079 6.1001 6.1031 6.1031 6.1001 6.1079 6.1239 5.1378 5.0518 5.1378 5.1331 4.8647 4.9862 4.8647 4.9568 4.6897 4.9516 4.9709 4.9548 4.9548 4.9709 4.9516 4.6897 4.9203 4.9837 4.9203 4.9643 4.9453 4.9560 4.9460 4.7468 4.7468 4.9460 4.9560 4.9453 4.7503 4.7893 4.7503 4.7805 4.7893 4.7666 4.7826 4.7845 4.7845 4.7826 4.7666 3.6846 10.5538 3.6846 3.6923 3.7180 3.6958 3.6989 3.6990 3.6990 3.6989 3.6958 3.7180 0.0362 0.0348 0.0362 0.0362 0.0285 0.0253 0.0285 0.0256 0.0328 0.0245 0.0239 0.0256 0.0256 0.0239 0.0245 0.0328 0.0258 0.0267 0.0258 0.0266 0.0271 0.0264 0.0261 0.0303 0.0303 0.0261 0.0264 0.0271 0.0313 0.0293 0.0313 0.0304 0.0293 0.0310 0.0299 0.0292 0.0292 0.0299 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 Mo As 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 3.175030 2.309365 3.175030 3.172885 3.136890 3.163873 3.160150 3.150478 3.150478 3.160150 3.163873 3.136890 -1.202967 -1.133811 -1.202967 -1.205742 -1.138475 -1.220921 -1.138475 -1.207672 -0.991770 -1.205196 -1.206631 -1.206367 -1.206367 -1.206631 -1.205196 -0.991770 -1.163529 -1.196431 -1.163529 -1.194582 -1.183828 -1.183369 -1.184829 -1.019108 -1.019108 -1.184829 -1.183369 -1.183828 -1.023813 -1.062307 -1.023813 -1.054547 -1.062307 -1.041150 -1.055504 -1.051851 -1.051851 -1.055504 -1.041150 2.373715 1.710123 2.373715 2.369142 2.353611 2.367309 2.361037 2.361886 2.361886 2.361037 2.367309 2.353611 -0.879969 -0.839056 -0.879969 -0.883498 -0.905053 -0.927085 -0.905053 -0.931001 -0.779784 -0.925174 -0.917196 -0.920599 -0.920599 -0.917196 -0.925174 -0.779784 -0.967877 -0.956263 -0.967877 -0.964845 -0.960381 -0.964185 -0.977956 -0.811104 -0.811104 -0.977956 -0.964185 -0.960381 -0.805276 -0.855288 -0.805276 -0.839119 -0.855288 -0.822847 -0.838098 -0.855969 -0.855969 -0.838098 -0.822847 2.469590 1.694074 2.469590 2.459904 2.426406 2.456708 2.440866 2.458230 2.458230 2.440866 2.456708 2.426406 -0.900949 -0.864767 -0.900949 -0.902613 -0.947798 -1.021204 -0.947798 -1.024013 -0.788343 -1.016117 -1.036489 -1.000371 -1.000371 -1.036489 -1.016117 -0.788343 -0.988921 -1.012303 -0.988921 -1.026450 -0.991612 -1.020452 -1.010077 -0.796870 -0.796870 -1.010077 -1.020452 -0.991612 -0.764448 -0.821657 -0.764448 -0.804477 -0.821657 -0.782319 -0.791101 -0.843350 -0.843350 -0.791101 -0.782319 1.28071560 -2.01376593 -0.00000000 2.38652167 -21.74104605 -1.32187816 -0.00000000 15.55963754 -0.00000000 6.18140852 -310.9819 407.3538 -129.5148 -344.6931 -58.3962 -436.2322 Mar01-2024 21:39:33 Nodes: 1 Procs: 1 Mar01-2024 21:39:33 Nodes: 1 Procs: 1 0 Mar01-2024 21:39:34 Nodes: 1 Procs: 1 Mar01-2024 21:39:34 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar01-2024 21:39:35 Nodes: 1 Procs: 1 Mar01-2024 21:39:36 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar01-2024 21:39:37 Nodes: 1 Procs: 28 *** (NO TITLE) *** -7 -15.95880516 -16.02723532 -16.02991315 -16.03101431 -16.03121060 -16.03127478 -16.03127317 -16.03125488 -16.03123157 -16.03123940 -16.03124520 -16.03124621 -16.03124805 -16.03125260 -16.03126605 -16.03126731 -16.03126863 -16.03125759 -16.03123960 GEOMETRY CONVERGED