ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 07:28:56 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.77 0.04 1.41 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun12-2024 07:28:56 Nodes: 1 Procs: 1 Jun12-2024 07:28:58 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 07:29:00 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.48 0.06 2.32 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 Jun12-2024 07:28:56 Nodes: 1 Procs: 1 Jun12-2024 07:28:58 Nodes: 1 Procs: 1 0 Jun12-2024 07:29:00 Nodes: 1 Procs: 1 Jun12-2024 07:29:02 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 07:29:05 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.58 0.06 2.42 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 Jun12-2024 07:28:56 Nodes: 1 Procs: 1 Jun12-2024 07:28:58 Nodes: 1 Procs: 1 0 Jun12-2024 07:29:00 Nodes: 1 Procs: 1 Jun12-2024 07:29:02 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 07:29:05 Nodes: 1 Procs: 1 Jun12-2024 07:29:07 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 07:29:10 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.66 0.09 3.25 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 Jun12-2024 07:28:56 Nodes: 1 Procs: 1 Jun12-2024 07:28:58 Nodes: 1 Procs: 1 0 Jun12-2024 07:29:00 Nodes: 1 Procs: 1 Jun12-2024 07:29:02 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 07:29:05 Nodes: 1 Procs: 1 Jun12-2024 07:29:07 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 07:29:10 Nodes: 1 Procs: 1 Jun12-2024 07:29:13 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 07:29:17 Hydrogen (TZP) c5-29 c5-29 c5-29 c5-29 c5-29 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.04 1.75 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 Jun12-2024 07:28:56 Nodes: 1 Procs: 1 Jun12-2024 07:28:58 Nodes: 1 Procs: 1 0 Jun12-2024 07:29:00 Nodes: 1 Procs: 1 Jun12-2024 07:29:02 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 07:29:05 Nodes: 1 Procs: 1 Jun12-2024 07:29:07 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 07:29:10 Nodes: 1 Procs: 1 Jun12-2024 07:29:13 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun12-2024 07:29:17 Nodes: 1 Procs: 1 Jun12-2024 07:29:19 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 07:29:23 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 1570.261199999998 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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.Mo ADF 2019.304 Jun12-2024 07:29:07 1 1 Molybdenum TZP 3d t21.O ADF 2019.304 Jun12-2024 07:29:19 1 1 Oxygen TZP 1s t21.W ADF 2019.304 Jun12-2024 07:29:13 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun12-2024 07:29:02 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun12-2024 07:28:58 1 1 Hydrogen TZP 1 1 -13.98730151 0.77463413 0.00100000 F 0.10608109 0.00066667 F 0.77463413 0.10608109 0.30134488 0.01000000 F 0.06161270 0.00666667 F Cartesian 1570.261199999998 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3,-3 19 3 -3 2.987015 1.212517 -1.195544 Rho 0.3189687E+03 3,-3 20 3 -3 -1.494803 -1.151236 -3.326393 Rho 0.3193724E+03 3,-3 21 3 -3 3.086801 1.233777 1.400475 Rho 0.3190850E+03 3,-3 22 3 -3 -3.109403 1.316100 -1.454095 Rho 0.3191769E+03 3,-3 23 3 -3 1.323649 -1.163331 2.919501 Rho 0.3189607E+03 3,-3 24 3 -3 -1.637348 3.044710 -0.012340 Rho 0.3189053E+03 3,-3 25 3 -3 0.267114 -3.395981 1.739883 Rho 0.3193815E+03 3,-3 26 3 -3 1.566624 2.975307 0.052943 Rho 0.3190118E+03 3,-3 27 3 -3 0.188986 -3.506634 -1.678014 Rho 0.3193770E+03 3,-3 28 3 -3 3.625024 -1.418595 -1.400989 Rho 0.3191666E+03 3,-3 29 3 -3 0.156228 -0.115588 -5.283621 Rho 0.3192993E+03 3,-3 30 3 -3 1.475940 1.505456 -3.400238 Rho 0.3191460E+03 3,-3 31 3 -3 -1.450545 1.560739 3.502622 Rho 0.3190629E+03 3,-3 32 3 -3 3.577596 -1.360800 1.326692 Rho 0.3191062E+03 3,-3 33 3 -3 -1.282338 1.602382 -3.526189 Rho 0.3189719E+03 3,-3 34 3 -3 1.273606 1.597373 3.438354 Rho 0.3190783E+03 3,-3 35 3 -3 0.089043 -0.117904 5.292053 Rho 0.3192991E+03 3,-3 36 3 -3 -0.050654 3.440256 2.103550 Rho 0.3190994E+03 3,-3 37 3 -3 2.401315 -3.419271 -0.006692 Rho 0.3190258E+03 3,-3 38 3 -3 0.069989 3.411774 -2.096182 Rho 0.3190420E+03 3,-3 39 3 -3 2.809545 -3.628427 2.805241 Rho 0.3193087E+03 3,-3 40 3 -3 5.458275 0.258721 -0.062251 Rho 0.3192938E+03 3,-3 41 3 -3 -2.694991 3.859412 -2.530534 Rho 0.3191785E+03 3,-3 42 3 -3 2.797715 3.816894 2.497869 Rho 0.3192967E+03 3,-3 43 3 -3 -1.812444 2.498219 -1.818241 Rho 0.4361415E+07 3,-3 44 3 -3 -0.287268 -0.264630 0.009464 Rho 0.4276108E+05 3,-3 45 3 -3 -3.060121 1.173850 0.333545 Rho 0.4449493E+00 3,-3 46 3 +1 -2.543301 1.881482 -0.083051 Rho 0.1472491E-01 |GRAD(Rho)| 0.5395088E-14 GRAD(Rho)x 0.3027525E-14 GRAD(Rho)y 0.3350155E-14 GRAD(Rho)z 0.2952545E-14 Laplacian 0.6548515E-01 (-1/4)Del**2(Rho)) -0.1637129E-01 Diamond 0.3582527E-02 Metallicity 0.9308747E+00 Ellipticity -0.1500314E+01 Gb(Abramov) 0.1345413E-01 Vb(Abramov) -0.1053697E-01 Hb(Abramov) 0.2917160E-02 Ex_ueg -0.2665560E-02 Ec_ueg -0.5867774E-03 Delta_ex -0.3422363E-02 Delta_ec 0.8919859E-03 Delta_et -0.6999684E-02 Pxc 0.4542711E+01 Qxc -0.3836790E+01 3,+1 47 3 +3 -0.040752 2.156834 0.018681 Rho 0.4072607E-02 |GRAD(Rho)| 0.7568105E-15 GRAD(Rho)x -0.7465594E-15 GRAD(Rho)y 0.7815805E-17 GRAD(Rho)z 0.1238958E-15 Laplacian 0.1659987E-01 (-1/4)Del**2(Rho)) -0.4149966E-02 Diamond 0.1082923E-03 Metallicity 0.4311510E+00 Ellipticity -0.3298455E+00 Gb(Abramov) 0.3064855E-02 Vb(Abramov) -0.1979743E-02 Hb(Abramov) 0.1085112E-02 Ex_ueg -0.4803395E-03 Ec_ueg -0.1072242E-03 Delta_ex -0.5672710E-03 Delta_ec 0.1182837E-03 Delta_et -0.7702954E-03 Pxc 0.4479767E+01 Qxc -0.4795851E+01 3,+3 48 3 -1 -3.068956 1.247919 -0.273852 Rho 0.3652116E-01 |GRAD(Rho)| 0.1968593E-16 GRAD(Rho)x -0.1585053E-17 GRAD(Rho)y 0.6385635E-17 GRAD(Rho)z 0.1855389E-16 Laplacian 0.1098511E+00 (-1/4)Del**2(Rho)) -0.2746277E-01 Diamond 0.5296243E-01 Metallicity 0.2521833E+01 Ellipticity 0.1956988E-01 Gb(Abramov) 0.2985127E-01 Vb(Abramov) -0.3223977E-01 Hb(Abramov) -0.2388498E-02 Ex_ueg -0.8949068E-02 Ec_ueg -0.1684628E-02 Delta_ex -0.9451844E-02 Delta_ec 0.5225802E-02 Delta_et -0.5078015E-01 Pxc 0.5312193E+01 Qxc -0.1808688E+01 3,-1 49 3 -1 -1.676739 2.821478 0.924029 Rho 0.1070944E+00 |GRAD(Rho)| 0.1248374E-15 GRAD(Rho)x -0.9740879E-18 GRAD(Rho)y -0.5818100E-16 GRAD(Rho)z -0.1104463E-15 Laplacian 0.4354749E+00 (-1/4)Del**2(Rho)) -0.1088687E+00 Diamond 0.5841454E+00 Metallicity 0.3821743E+01 Ellipticity 0.9857304E-02 Gb(Abramov) 0.1419239E+00 Vb(Abramov) -0.1749790E+00 Hb(Abramov) -0.3305515E-01 Ex_ueg -0.3756133E-01 Ec_ueg -0.5756776E-02 Delta_ex -0.4305978E-01 Delta_ec 0.1184427E-01 Delta_et -0.1489441E+00 Pxc 0.6524716E+01 Qxc -0.3635496E+01 3,-1 50 3 -1 -3.065043 1.209079 0.555986 Rho 0.3186228E+00 |GRAD(Rho)| 0.5244322E-15 GRAD(Rho)x -0.4624634E-15 GRAD(Rho)y 0.2184609E-15 GRAD(Rho)z -0.1158949E-15 Laplacian -0.1596170E+01 (-1/4)Del**2(Rho)) 0.3990425E+00 Diamond 0.5579226E+01 Metallicity -0.6416950E+01 Ellipticity 0.7209809E-02 Gb(Abramov) 0.1607443E+00 Vb(Abramov) -0.7205311E+00 Hb(Abramov) -0.5597868E+00 Ex_ueg -0.1607265E+00 Ec_ueg -0.2004377E-01 Delta_ex 0.1585739E+00 Delta_ec 0.5588238E-01 Delta_et -0.1323479E+01 Pxc 0.8018775E+01 Qxc 0.2837637E+01 3,-1 51 3 +1 -0.854508 1.596575 0.054672 Rho 0.7436907E-02 |GRAD(Rho)| 0.2518255E-14 GRAD(Rho)x 0.9785288E-15 GRAD(Rho)y -0.9201365E-15 GRAD(Rho)z -0.2130126E-14 Laplacian 0.2919994E-01 (-1/4)Del**2(Rho)) -0.7299985E-02 Diamond 0.6382735E-03 Metallicity 0.6686801E+00 Ellipticity -0.1375553E+01 Gb(Abramov) 0.5680216E-02 Vb(Abramov) -0.4060447E-02 Hb(Abramov) 0.1619769E-02 Ex_ueg -0.1072115E-02 Ec_ueg -0.2532445E-03 Delta_ex -0.1284523E-02 Delta_ec 0.4080649E-03 Delta_et -0.2688735E-02 Pxc 0.4233518E+01 Qxc -0.3147841E+01 3,+1 52 3 -1 -2.507116 1.859653 -1.620499 Rho 0.2114230E+00 |GRAD(Rho)| 0.4812076E-11 GRAD(Rho)x 0.3470224E-11 GRAD(Rho)y 0.3184546E-11 GRAD(Rho)z -0.9860446E-12 Laplacian 0.8196604E+00 (-1/4)Del**2(Rho)) -0.2049151E+00 Diamond 0.2471447E+01 Metallicity 0.6308113E+01 Ellipticity 0.1262971E-01 Gb(Abramov) 0.3520480E+00 Vb(Abramov) -0.4991809E+00 Hb(Abramov) -0.1471329E+00 Ex_ueg -0.9302249E-01 Ec_ueg -0.1248608E-01 Delta_ex -0.9571974E-01 Delta_ec 0.1858488E-01 Delta_et -0.2550588E+00 Pxc 0.7450096E+01 Qxc -0.5150410E+01 3,-1 53 3 -1 -2.422749 1.938270 1.598677 Rho 0.1229576E+00 |GRAD(Rho)| 0.6029407E-13 GRAD(Rho)x 0.3647457E-13 GRAD(Rho)y 0.3974626E-13 GRAD(Rho)z 0.2692984E-13 Laplacian 0.4623559E+00 (-1/4)Del**2(Rho)) -0.1155890E+00 Diamond 0.7400951E+00 Metallicity 0.4531363E+01 Ellipticity 0.1120483E+00 Gb(Abramov) 0.1643552E+00 Vb(Abramov) -0.2131215E+00 Hb(Abramov) -0.4876627E-01 Ex_ueg -0.4515703E-01 Ec_ueg -0.6735615E-02 Delta_ex -0.4734400E-01 Delta_ec 0.1235944E-01 Delta_et -0.1596135E+00 Pxc 0.6704218E+01 Qxc -0.3830594E+01 3,-1 54 3 +1 0.731146 -0.679168 1.518481 Rho 0.8762408E-02 |GRAD(Rho)| 0.8663148E-12 GRAD(Rho)x 0.6663492E-13 GRAD(Rho)y -0.7830482E-12 GRAD(Rho)z -0.3645499E-12 Laplacian 0.3482294E-01 (-1/4)Del**2(Rho)) -0.8705734E-02 Diamond 0.9202609E-03 Metallicity 0.7369764E+00 Ellipticity -0.1390617E+01 Gb(Abramov) 0.6873143E-02 Vb(Abramov) -0.5040552E-02 Hb(Abramov) 0.1832591E-02 Ex_ueg -0.1334186E-02 Ec_ueg -0.3122526E-03 Delta_ex -0.1582710E-02 Delta_ec 0.4619910E-03 Delta_et -0.3195540E-02 Pxc 0.4272778E+01 Qxc -0.3425846E+01 3,+1 55 3 +1 -2.338669 0.349935 -0.215288 Rho 0.5661928E-02 |GRAD(Rho)| 0.2636794E-15 GRAD(Rho)x -0.2401721E-15 GRAD(Rho)y 0.1053838E-15 GRAD(Rho)z -0.2717379E-16 Laplacian 0.1966756E-01 (-1/4)Del**2(Rho)) -0.4916889E-02 Diamond 0.3515739E-03 Metallicity 0.6301878E+00 Ellipticity -0.1612486E+01 Gb(Abramov) 0.3794353E-02 Vb(Abramov) -0.2671818E-02 Hb(Abramov) 0.1122536E-02 Ex_ueg -0.7453110E-03 Ec_ueg -0.1755085E-03 Delta_ex -0.8519115E-03 Delta_ec 0.3516757E-03 Delta_et -0.2088963E-02 Pxc 0.4246579E+01 Qxc -0.2422435E+01 3,+1 56 3 -1 -2.244121 0.194828 0.534405 Rho 0.7166880E-02 |GRAD(Rho)| 0.5130686E-17 GRAD(Rho)x 0.8998509E-18 GRAD(Rho)y 0.4162410E-17 GRAD(Rho)z 0.2861564E-17 Laplacian 0.2579432E-01 (-1/4)Del**2(Rho)) -0.6448579E-02 Diamond 0.1033033E-02 Metallicity 0.7117149E+00 Ellipticity 0.2292404E+00 Gb(Abramov) 0.5063977E-02 Vb(Abramov) -0.3679376E-02 Hb(Abramov) 0.1384601E-02 Ex_ueg -0.1020529E-02 Ec_ueg -0.2413221E-03 Delta_ex -0.1409752E-02 Delta_ec 0.8701569E-03 Delta_et -0.5241092E-02 Pxc 0.4228907E+01 Qxc -0.1620113E+01 3,-1 57 3 +1 -1.867019 0.437598 0.689649 Rho 0.6765596E-02 |GRAD(Rho)| 0.1608640E-15 GRAD(Rho)x 0.1575982E-15 GRAD(Rho)y -0.2946261E-16 GRAD(Rho)z 0.1311451E-16 Laplacian 0.2442176E-01 (-1/4)Del**2(Rho)) -0.6105440E-02 Diamond 0.6274956E-03 Metallicity 0.6828830E+00 Ellipticity -0.2072352E+01 Gb(Abramov) 0.4765177E-02 Vb(Abramov) -0.3424914E-02 Hb(Abramov) 0.1340263E-02 Ex_ueg -0.9450610E-03 Ec_ueg -0.2236674E-03 Delta_ex -0.1147406E-02 Delta_ec 0.5164080E-03 Delta_et -0.3167745E-02 Pxc 0.4225297E+01 Qxc -0.2221898E+01 3,+1 58 3 -1 -2.287354 3.231955 -2.203472 Rho 0.2227339E+00 |GRAD(Rho)| 0.1419528E-13 GRAD(Rho)x -0.6857145E-14 GRAD(Rho)y -0.1172050E-13 GRAD(Rho)z 0.4137072E-14 Laplacian 0.8312019E+00 (-1/4)Del**2(Rho)) -0.2078005E+00 Diamond 0.2687109E+01 Metallicity 0.6785009E+01 Ellipticity 0.1124034E-01 Gb(Abramov) 0.3735217E+00 Vb(Abramov) -0.5392429E+00 Hb(Abramov) -0.1657212E+00 Ex_ueg -0.9971645E-01 Ec_ueg -0.1325373E-01 Delta_ex -0.9849475E-01 Delta_ec 0.1876546E-01 Delta_et -0.2590832E+00 Pxc 0.7523652E+01 Qxc -0.5248724E+01 3,-1 59 3 -1 -2.278102 3.293851 2.289419 Rho 0.2165153E+00 |GRAD(Rho)| 0.1198452E-13 GRAD(Rho)x 0.1181108E-13 GRAD(Rho)y -0.1285159E-14 GRAD(Rho)z -0.1573367E-14 Laplacian 0.7891713E+00 (-1/4)Del**2(Rho)) -0.1972928E+00 Diamond 0.2475137E+01 Metallicity 0.6816942E+01 Ellipticity 0.4670240E-02 Gb(Abramov) 0.3556842E+00 Vb(Abramov) -0.5140755E+00 Hb(Abramov) -0.1583913E+00 Ex_ueg -0.9602181E-01 Ec_ueg -0.1283081E-01 Delta_ex -0.9288923E-01 Delta_ec 0.1806259E-01 Delta_et -0.2493709E+00 Pxc 0.7483689E+01 Qxc -0.5142630E+01 3,-1 60 3 -1 -0.983631 1.630372 -1.565620 Rho 0.5092441E-01 |GRAD(Rho)| 0.9893326E-16 GRAD(Rho)x -0.4392543E-16 GRAD(Rho)y 0.8844337E-16 GRAD(Rho)z -0.6009699E-17 Laplacian 0.1922272E+00 (-1/4)Del**2(Rho)) -0.4805680E-01 Diamond 0.9872893E-01 Metallicity 0.2508081E+01 Ellipticity 0.1637789E-01 Gb(Abramov) 0.5212626E-01 Vb(Abramov) -0.5619572E-01 Hb(Abramov) -0.4069461E-02 Ex_ueg -0.1394076E-01 Ec_ueg -0.2466035E-02 Delta_ex -0.1584654E-01 Delta_ec 0.5638691E-02 Delta_et -0.5971707E-01 Pxc 0.5653106E+01 Qxc -0.2810322E+01 3,-1 61 3 +1 -0.791153 1.228336 -2.387293 Rho 0.2975100E-01 |GRAD(Rho)| 0.1674366E-13 GRAD(Rho)x -0.1160072E-13 GRAD(Rho)y 0.8686554E-14 GRAD(Rho)z -0.8385544E-14 Laplacian 0.1211015E+00 (-1/4)Del**2(Rho)) -0.3027537E-01 Diamond 0.2139978E-01 Metallicity 0.1625422E+01 Ellipticity -0.7995043E+01 Gb(Abramov) 0.2838529E-01 Vb(Abramov) -0.2649521E-01 Hb(Abramov) 0.1890080E-02 Ex_ueg -0.6808537E-02 Ec_ueg -0.1330771E-02 Delta_ex -0.8001646E-02 Delta_ec 0.2250480E-02 Delta_et -0.2069704E-01 Pxc 0.5116236E+01 Qxc -0.3555528E+01 3,+1 62 3 +1 0.600129 1.606286 -0.024733 Rho 0.6156188E-02 |GRAD(Rho)| 0.8188173E-17 GRAD(Rho)x 0.5562894E-17 GRAD(Rho)y 0.5288486E-17 GRAD(Rho)z -0.2851720E-17 Laplacian 0.2419935E-01 (-1/4)Del**2(Rho)) -0.6049838E-02 Diamond 0.4365427E-03 Metallicity 0.5888381E+00 Ellipticity -0.1374044E+01 Gb(Abramov) 0.4626954E-02 Vb(Abramov) -0.3204071E-02 Hb(Abramov) 0.1422883E-02 Ex_ueg -0.8332990E-03 Ec_ueg -0.1970026E-03 Delta_ex -0.1035087E-02 Delta_ec 0.3725475E-03 Delta_et -0.2306331E-02 Pxc 0.4229888E+01 Qxc -0.2778402E+01 3,+1 63 3 +3 1.503477 0.917770 0.062616 Rho 0.3192321E-02 |GRAD(Rho)| 0.3965291E-12 GRAD(Rho)x -0.2991727E-12 GRAD(Rho)y -0.5859101E-13 GRAD(Rho)z 0.2535707E-12 Laplacian 0.1228106E-01 (-1/4)Del**2(Rho)) -0.3070266E-02 Diamond 0.5987558E-04 Metallicity 0.3883484E+00 Ellipticity -0.4454290E+00 Gb(Abramov) 0.2245566E-02 Vb(Abramov) -0.1420866E-02 Hb(Abramov) 0.8246998E-03 Ex_ueg -0.3471580E-03 Ec_ueg -0.6997022E-04 Delta_ex -0.3979162E-03 Delta_ec 0.9442034E-04 Delta_et -0.5691450E-03 Pxc 0.4961511E+01 Qxc -0.4214306E+01 3,+3 64 3 -1 -0.904641 1.682909 1.645871 Rho 0.3658436E-01 |GRAD(Rho)| 0.1448449E-15 GRAD(Rho)x -0.8607559E-16 GRAD(Rho)y 0.1089049E-15 GRAD(Rho)z 0.4136125E-16 Laplacian 0.1431411E+00 (-1/4)Del**2(Rho)) -0.3578529E-01 Diamond 0.4784349E-01 Metallicity 0.1940921E+01 Ellipticity 0.2354645E-01 Gb(Abramov) 0.3543292E-01 Vb(Abramov) -0.3508056E-01 Hb(Abramov) 0.3523620E-03 Ex_ueg -0.8969723E-02 Ec_ueg -0.1687976E-02 Delta_ex -0.1092646E-01 Delta_ec 0.4319895E-02 Delta_et -0.4190856E-01 Pxc 0.5313892E+01 Qxc -0.2529335E+01 3,-1 65 3 +1 0.217801 2.054213 -1.709677 Rho 0.2164963E-01 |GRAD(Rho)| 0.2135874E-14 GRAD(Rho)x 0.1724224E-14 GRAD(Rho)y 0.1161872E-14 GRAD(Rho)z -0.4889408E-15 Laplacian 0.8148139E-01 (-1/4)Del**2(Rho)) -0.2037035E-01 Diamond 0.8696021E-02 Metallicity 0.1422237E+01 Ellipticity -0.3345678E+01 Gb(Abramov) 0.1840881E-01 Vb(Abramov) -0.1644727E-01 Hb(Abramov) 0.1961538E-02 Ex_ueg -0.4456415E-02 Ec_ueg -0.9215543E-03 Delta_ex -0.4871359E-02 Delta_ec 0.1371650E-02 Delta_et -0.1168822E-01 Pxc 0.4835759E+01 Qxc -0.3551460E+01 3,+1 66 3 +3 -1.730912 1.037894 -0.002139 Rho 0.4628278E-02 |GRAD(Rho)| 0.2051324E-15 GRAD(Rho)x 0.1756823E-15 GRAD(Rho)y 0.4474856E-16 GRAD(Rho)z -0.9598228E-16 Laplacian 0.1743741E-01 (-1/4)Del**2(Rho)) -0.4359351E-02 Diamond 0.1398237E-03 Metallicity 0.5079610E+00 Ellipticity -0.5766073E+00 Gb(Abramov) 0.3275298E-02 Vb(Abramov) -0.2191244E-02 Hb(Abramov) 0.1084054E-02 Ex_ueg -0.5696537E-03 Ec_ueg -0.1309513E-03 Delta_ex -0.6208586E-03 Delta_ec 0.1324448E-03 Delta_et -0.8725377E-03 Pxc 0.4350118E+01 Qxc -0.4687680E+01 3,+3 67 3 -1 0.751606 1.669899 -1.634046 Rho 0.2658997E-01 |GRAD(Rho)| 0.7091016E-16 GRAD(Rho)x 0.2805437E-16 GRAD(Rho)y 0.6472211E-16 GRAD(Rho)z -0.7228619E-17 Laplacian 0.1035142E+00 (-1/4)Del**2(Rho)) -0.2587856E-01 Diamond 0.2163106E-01 Metallicity 0.1576919E+01 Ellipticity 0.6579041E-01 Gb(Abramov) 0.2405377E-01 Vb(Abramov) -0.2222898E-01 Hb(Abramov) 0.1824788E-02 Ex_ueg -0.5861500E-02 Ec_ueg -0.1169095E-02 Delta_ex -0.7234666E-02 Delta_ec 0.2987643E-02 Delta_et -0.2654111E-01 Pxc 0.5013707E+01 Qxc -0.2421530E+01 3,-1 68 3 +3 -0.066905 1.865976 2.631300 Rho 0.1124048E-01 |GRAD(Rho)| 0.1468428E-16 GRAD(Rho)x 0.1049261E-16 GRAD(Rho)y -0.1012639E-16 GRAD(Rho)z -0.1728965E-17 Laplacian 0.5040669E-01 (-1/4)Del**2(Rho)) -0.1260167E-01 Diamond 0.1013800E-02 Metallicity 0.7710801E+00 Ellipticity -0.5376164E+00 Gb(Abramov) 0.1002060E-01 Vb(Abramov) -0.7439524E-02 Hb(Abramov) 0.2581074E-02 Ex_ueg -0.1859650E-02 Ec_ueg -0.4246212E-03 Delta_ex -0.2172852E-02 Delta_ec 0.1854295E-03 Delta_et -0.1740663E-02 Pxc 0.4379551E+01 Qxc -0.1171794E+02 3,+3 69 3 -1 -0.759571 0.845754 -3.518479 Rho 0.1354778E+00 |GRAD(Rho)| 0.4726058E-13 GRAD(Rho)x 0.1155873E-13 GRAD(Rho)y 0.4568519E-13 GRAD(Rho)z -0.3580766E-14 Laplacian 0.5114213E+00 (-1/4)Del**2(Rho)) -0.1278553E+00 Diamond 0.9216991E+00 Metallicity 0.4815206E+01 Ellipticity 0.5305590E-01 Gb(Abramov) 0.1878452E+00 Vb(Abramov) -0.2478350E+00 Hb(Abramov) -0.5998984E-01 Ex_ueg -0.5138970E-01 Ec_ueg -0.7520472E-02 Delta_ex -0.5362607E-01 Delta_ec 0.1339780E-01 Delta_et -0.1758771E+00 Pxc 0.6833308E+01 Qxc -0.4002603E+01 3,-1 70 3 -1 -0.792946 0.806401 3.499291 Rho 0.9372942E-01 |GRAD(Rho)| 0.7695014E-15 GRAD(Rho)x 0.5301884E-15 GRAD(Rho)y -0.5384351E-15 GRAD(Rho)z 0.1453282E-15 Laplacian 0.3553430E+00 (-1/4)Del**2(Rho)) -0.8883576E-01 Diamond 0.4095895E+00 Metallicity 0.3750524E+01 Ellipticity 0.2778399E-01 Gb(Abramov) 0.1147539E+00 Vb(Abramov) -0.1406721E+00 Hb(Abramov) -0.2591818E-01 Ex_ueg -0.3144510E-01 Ec_ueg -0.4946794E-02 Delta_ex -0.3412937E-01 Delta_ec 0.1007888E-01 Delta_et -0.1236010E+00 Pxc 0.6356662E+01 Qxc -0.3386225E+01 3,-1 71 3 +1 0.061642 2.022423 -2.888177 Rho 0.1130841E-01 |GRAD(Rho)| 0.2292397E-16 GRAD(Rho)x 0.1941398E-16 GRAD(Rho)y 0.8151603E-17 GRAD(Rho)z 0.9064057E-17 Laplacian 0.5173382E-01 (-1/4)Del**2(Rho)) -0.1293345E-01 Diamond 0.1637376E-02 Metallicity 0.7588824E+00 Ellipticity -0.1185074E+01 Gb(Abramov) 0.1025813E-01 Vb(Abramov) -0.7582808E-02 Hb(Abramov) 0.2675323E-02 Ex_ueg -0.1874651E-02 Ec_ueg -0.4277376E-03 Delta_ex -0.2417951E-02 Delta_ec 0.5187113E-03 Delta_et -0.3954256E-02 Pxc 0.4382712E+01 Qxc -0.4661458E+01 3,+1 72 3 +1 -0.812859 1.239179 2.368904 Rho 0.2527914E-01 |GRAD(Rho)| 0.1030455E-15 GRAD(Rho)x -0.7350190E-16 GRAD(Rho)y 0.6889065E-16 GRAD(Rho)z 0.2167754E-16 Laplacian 0.9974039E-01 (-1/4)Del**2(Rho)) -0.2493510E-01 Diamond 0.1444483E-01 Metallicity 0.1504340E+01 Ellipticity -0.7273859E+01 Gb(Abramov) 0.2287521E-01 Vb(Abramov) -0.2081532E-01 Hb(Abramov) 0.2059889E-02 Ex_ueg -0.5479423E-02 Ec_ueg -0.1102779E-02 Delta_ex -0.6350043E-02 Delta_ec 0.1921586E-02 Delta_et -0.1695697E-01 Pxc 0.4968742E+01 Qxc -0.3304585E+01 3,+1 73 3 -1 -0.451420 -2.189971 2.487007 Rho 0.5730817E-02 |GRAD(Rho)| 0.4111106E-14 GRAD(Rho)x -0.6591076E-15 GRAD(Rho)y -0.3639999E-14 GRAD(Rho)z -0.1793648E-14 Laplacian 0.2312986E-01 (-1/4)Del**2(Rho)) -0.5782465E-02 Diamond 0.8108599E-03 Metallicity 0.5467654E+00 Ellipticity 0.1813186E+01 Gb(Abramov) 0.4381919E-02 Vb(Abramov) -0.2981372E-02 Hb(Abramov) 0.1400546E-02 Ex_ueg -0.7574264E-03 Ec_ueg -0.1784971E-03 Delta_ex -0.1307050E-02 Delta_ec 0.9534222E-03 Delta_et -0.5304697E-02 Pxc 0.4243353E+01 Qxc -0.1370903E+01 3,-1 74 3 +1 -0.320515 -2.109525 2.509527 Rho 0.5709665E-02 |GRAD(Rho)| 0.8941186E-14 GRAD(Rho)x 0.7341352E-14 GRAD(Rho)y 0.4770901E-14 GRAD(Rho)z 0.1813246E-14 Laplacian 0.2437153E-01 (-1/4)Del**2(Rho)) -0.6092883E-02 Diamond 0.7079688E-03 Metallicity 0.5157209E+00 Ellipticity -0.3196876E+01 Gb(Abramov) 0.4585627E-02 Vb(Abramov) -0.3078370E-02 Hb(Abramov) 0.1507257E-02 Ex_ueg -0.7537013E-03 Ec_ueg -0.1775793E-03 Delta_ex -0.1265694E-02 Delta_ec 0.8071089E-03 Delta_et -0.4545501E-02 Pxc 0.4244309E+01 Qxc -0.1568182E+01 3,+1 75 3 +1 0.612087 -0.644611 -1.501237 Rho 0.9543030E-02 |GRAD(Rho)| 0.4851121E-16 GRAD(Rho)x 0.1717024E-16 GRAD(Rho)y -0.3369601E-16 GRAD(Rho)z -0.3038256E-16 Laplacian 0.3852741E-01 (-1/4)Del**2(Rho)) -0.9631853E-02 Diamond 0.1163948E-02 Metallicity 0.7679279E+00 Ellipticity -0.1423522E+01 Gb(Abramov) 0.7653997E-02 Vb(Abramov) -0.5676141E-02 Hb(Abramov) 0.1977856E-02 Ex_ueg -0.1494973E-02 Ec_ueg -0.3473689E-03 Delta_ex -0.1797751E-02 Delta_ec 0.5251254E-03 Delta_et -0.3699534E-02 Pxc 0.4303705E+01 Qxc -0.3423469E+01 3,+1 76 3 -1 -0.813940 2.963714 -1.959510 Rho 0.9419552E-01 |GRAD(Rho)| 0.7342092E-15 GRAD(Rho)x -0.6758984E-15 GRAD(Rho)y 0.2860803E-15 GRAD(Rho)z -0.1955799E-16 Laplacian 0.3780969E+00 (-1/4)Del**2(Rho)) -0.9452423E-01 Diamond 0.4351931E+00 Metallicity 0.3554079E+01 Ellipticity 0.1396721E-01 Gb(Abramov) 0.1190073E+00 Vb(Abramov) -0.1434903E+00 Hb(Abramov) -0.2448302E-01 Ex_ueg -0.3165377E-01 Ec_ueg -0.4974799E-02 Delta_ex -0.3629632E-01 Delta_ec 0.1060553E-01 Delta_et -0.1300749E+00 Pxc 0.6362823E+01 Qxc -0.3422396E+01 3,-1 77 3 +1 -0.024133 2.992541 -0.262861 Rho 0.5817498E-02 |GRAD(Rho)| 0.4978246E-17 GRAD(Rho)x 0.4566856E-17 GRAD(Rho)y 0.1302178E-17 GRAD(Rho)z -0.1493684E-17 Laplacian 0.2421847E-01 (-1/4)Del**2(Rho)) -0.6054617E-02 Diamond 0.6388135E-03 Metallicity 0.5354187E+00 Ellipticity -0.2299834E+01 Gb(Abramov) 0.4576704E-02 Vb(Abramov) -0.3098791E-02 Hb(Abramov) 0.1477913E-02 Ex_ueg -0.7727399E-03 Ec_ueg -0.1822609E-03 Delta_ex -0.1199604E-02 Delta_ec 0.6900848E-03 Delta_et -0.3950580E-02 Pxc 0.4239745E+01 Qxc -0.1738343E+01 3,+1 78 3 -1 -0.033045 2.984177 0.005995 Rho 0.5897125E-02 |GRAD(Rho)| 0.7689291E-17 GRAD(Rho)x 0.7146662E-17 GRAD(Rho)y 0.3125259E-18 GRAD(Rho)z -0.2820062E-17 Laplacian 0.2369846E-01 (-1/4)Del**2(Rho)) -0.5924615E-02 Diamond 0.8255667E-03 Metallicity 0.5597064E+00 Ellipticity 0.1810815E+01 Gb(Abramov) 0.4502418E-02 Vb(Abramov) -0.3080220E-02 Hb(Abramov) 0.1422198E-02 Ex_ueg -0.7868746E-03 Ec_ueg -0.1857217E-03 Delta_ex -0.1317886E-02 Delta_ec 0.9266100E-03 Delta_et -0.5216171E-02 Pxc 0.4236847E+01 Qxc -0.1422266E+01 3,-1 79 3 +1 -0.039814 3.004593 0.292565 Rho 0.5801450E-02 |GRAD(Rho)| 0.4502525E-15 GRAD(Rho)x -0.2658117E-16 GRAD(Rho)y 0.6811331E-16 GRAD(Rho)z 0.4442762E-15 Laplacian 0.2430654E-01 (-1/4)Del**2(Rho)) -0.6076635E-02 Diamond 0.6356597E-03 Metallicity 0.5310282E+00 Ellipticity -0.2209353E+01 Gb(Abramov) 0.4588901E-02 Vb(Abramov) -0.3101166E-02 Hb(Abramov) 0.1487734E-02 Ex_ueg -0.7698990E-03 Ec_ueg -0.1815638E-03 Delta_ex -0.1200930E-02 Delta_ec 0.6883842E-03 Delta_et -0.3939468E-02 Pxc 0.4240376E+01 Qxc -0.1744564E+01 3,+1 80 3 -1 -0.826405 3.037482 2.029290 Rho 0.1633361E+00 |GRAD(Rho)| 0.2911147E-14 GRAD(Rho)x -0.2493258E-14 GRAD(Rho)y 0.1042040E-14 GRAD(Rho)z 0.1082864E-14 Laplacian 0.6468883E+00 (-1/4)Del**2(Rho)) -0.1617221E+00 Diamond 0.1431117E+01 Metallicity 0.5199014E+01 Ellipticity 0.6773991E-01 Gb(Abramov) 0.2479473E+00 Vb(Abramov) -0.3341725E+00 Hb(Abramov) -0.8622520E-01 Ex_ueg -0.6594190E-01 Ec_ueg -0.9302614E-02 Delta_ex -0.7076116E-01 Delta_ec 0.1573161E-01 Delta_et -0.2109103E+00 Pxc 0.7088534E+01 Qxc -0.4498024E+01 3,-1 81 3 -1 -0.238820 0.261416 -0.655834 Rho 0.1593003E+00 |GRAD(Rho)| 0.6252326E-12 GRAD(Rho)x -0.3128205E-13 GRAD(Rho)y -0.3801768E-12 GRAD(Rho)z 0.4953815E-12 Laplacian 0.3718427E+00 (-1/4)Del**2(Rho)) -0.9296068E-01 Diamond 0.8296856E+00 Metallicity 0.8675238E+01 Ellipticity 0.3269853E-02 Gb(Abramov) 0.1963831E+00 Vb(Abramov) -0.2998056E+00 Hb(Abramov) -0.1034225E+00 Ex_ueg -0.6377842E-01 Ec_ueg -0.9041499E-02 Delta_ex -0.4071068E-01 Delta_ec 0.9616509E-02 Delta_et -0.1298625E+00 Pxc 0.7053965E+01 Qxc -0.4233416E+01 3,-1 82 3 +1 0.259593 2.082168 1.728175 Rho 0.1929138E-01 |GRAD(Rho)| 0.1605751E-13 GRAD(Rho)x 0.1023821E-13 GRAD(Rho)y 0.1051245E-13 GRAD(Rho)z 0.6520044E-14 Laplacian 0.7152209E-01 (-1/4)Del**2(Rho)) -0.1788052E-01 Diamond 0.5818400E-02 Metallicity 0.1336940E+01 Ellipticity -0.2227073E+01 Gb(Abramov) 0.1590454E-01 Vb(Abramov) -0.1392857E-01 Hb(Abramov) 0.1975977E-02 Ex_ueg -0.3821227E-02 Ec_ueg -0.8058291E-03 Delta_ex -0.4041042E-02 Delta_ec 0.1013334E-02 Delta_et -0.8463796E-02 Pxc 0.4741982E+01 Qxc -0.3987866E+01 3,+1 83 3 -1 -0.940238 -0.732637 0.002087 Rho 0.2061167E+00 |GRAD(Rho)| 0.1315660E-15 GRAD(Rho)x -0.2081668E-16 GRAD(Rho)y -0.1249001E-15 GRAD(Rho)z -0.3572446E-16 Laplacian 0.5966062E+00 (-1/4)Del**2(Rho)) -0.1491515E+00 Diamond 0.1704211E+01 Metallicity 0.8307062E+01 Ellipticity 0.2207851E-02 Gb(Abramov) 0.3059362E+00 Vb(Abramov) -0.4627209E+00 Hb(Abramov) -0.1567847E+00 Ex_ueg -0.8992270E-01 Ec_ueg -0.1212839E-01 Delta_ex -0.6895288E-01 Delta_ec 0.1315225E-01 Delta_et -0.1784740E+00 Pxc 0.7414231E+01 Qxc -0.5242669E+01 3,-1 84 3 -1 -0.885034 -0.615650 -3.430496 Rho 0.2167821E+00 |GRAD(Rho)| 0.3016889E-13 GRAD(Rho)x -0.2132669E-13 GRAD(Rho)y 0.1944132E-13 GRAD(Rho)z -0.8796003E-14 Laplacian 0.8297132E+00 (-1/4)Del**2(Rho)) -0.2074283E+00 Diamond 0.2577155E+01 Metallicity 0.6497172E+01 Ellipticity 0.6031952E-02 Gb(Abramov) 0.3629017E+00 Vb(Abramov) -0.5183752E+00 Hb(Abramov) -0.1554734E+00 Ex_ueg -0.9617962E-01 Ec_ueg -0.1284891E-01 Delta_ex -0.9751546E-01 Delta_ec 0.1866833E-01 Delta_et -0.2565380E+00 Pxc 0.7485428E+01 Qxc -0.5223577E+01 3,-1 85 3 -1 -0.799937 -0.618586 3.355500 Rho 0.2153602E+00 |GRAD(Rho)| 0.2899463E-10 GRAD(Rho)x -0.2189165E-10 GRAD(Rho)y -0.1817448E-10 GRAD(Rho)z -0.5579641E-11 Laplacian 0.8373162E+00 (-1/4)Del**2(Rho)) -0.2093291E+00 Diamond 0.2571700E+01 Metallicity 0.6367946E+01 Ellipticity 0.1303391E-01 Gb(Abramov) 0.3617187E+00 Vb(Abramov) -0.5141084E+00 Hb(Abramov) -0.1523897E+00 Ex_ueg -0.9533937E-01 Ec_ueg -0.1275249E-01 Delta_ex -0.9818909E-01 Delta_ec 0.1878062E-01 Delta_et -0.2576198E+00 Pxc 0.7476139E+01 Qxc -0.5228212E+01 3,-1 86 3 +3 0.044974 1.856069 -2.662012 Rho 0.1106624E-01 |GRAD(Rho)| 0.9453029E-17 GRAD(Rho)x -0.1353173E-17 GRAD(Rho)y 0.9108087E-17 GRAD(Rho)z 0.2138091E-17 Laplacian 0.4981516E-01 (-1/4)Del**2(Rho)) -0.1245379E-01 Diamond 0.1019686E-02 Metallicity 0.7601841E+00 Ellipticity -0.6538790E+00 Gb(Abramov) 0.9880388E-02 Vb(Abramov) -0.7306987E-02 Hb(Abramov) 0.2573401E-02 Ex_ueg -0.1821317E-02 Ec_ueg -0.4166370E-03 Delta_ex -0.2150215E-02 Delta_ec 0.2059325E-03 Delta_et -0.1866323E-02 Pxc 0.4371471E+01 Qxc -0.1044136E+02 3,+3 87 3 +1 -0.077269 2.062038 2.902176 Rho 0.1165912E-01 |GRAD(Rho)| 0.2033709E-16 GRAD(Rho)x 0.2020535E-16 GRAD(Rho)y 0.2126905E-17 GRAD(Rho)z 0.9041194E-18 Laplacian 0.5332850E-01 (-1/4)Del**2(Rho)) -0.1333213E-01 Diamond 0.1793127E-02 Metallicity 0.7746340E+00 Ellipticity -0.1213639E+01 Gb(Abramov) 0.1060934E-01 Vb(Abramov) -0.7886548E-02 Hb(Abramov) 0.2722789E-02 Ex_ueg -0.1952567E-02 Ec_ueg -0.4438556E-03 Delta_ex -0.2523135E-02 Delta_ec 0.5522847E-03 Delta_et -0.4221235E-02 Pxc 0.4399104E+01 Qxc -0.4568540E+01 3,+1 88 3 +1 2.068912 0.000193 -1.991417 Rho 0.4108839E-02 |GRAD(Rho)| 0.5532920E-17 GRAD(Rho)x 0.1434930E-17 GRAD(Rho)y 0.5283041E-17 GRAD(Rho)z 0.8022802E-18 Laplacian 0.1660316E-01 (-1/4)Del**2(Rho)) -0.4150791E-02 Diamond 0.3257355E-03 Metallicity 0.4374760E+00 Ellipticity -0.4405094E+01 Gb(Abramov) 0.3069839E-02 Vb(Abramov) -0.1988887E-02 Hb(Abramov) 0.1080952E-02 Ex_ueg -0.4860458E-03 Ec_ueg -0.1087664E-03 Delta_ex -0.8294083E-03 Delta_ec 0.5837790E-03 Delta_et -0.2963493E-02 Pxc 0.4468712E+01 Qxc -0.1420757E+01 3,+1 89 3 -1 2.706337 -2.009919 -1.536094 Rho 0.5726483E-01 |GRAD(Rho)| 0.1155078E-14 GRAD(Rho)x -0.6059005E-15 GRAD(Rho)y -0.8026378E-15 GRAD(Rho)z -0.5682105E-15 Laplacian 0.2282516E+00 (-1/4)Del**2(Rho)) -0.5706289E-01 Diamond 0.1412421E+00 Metallicity 0.2568499E+01 Ellipticity 0.1105987E-01 Gb(Abramov) 0.6246959E-01 Vb(Abramov) -0.6787629E-01 Hb(Abramov) -0.5406699E-02 Ex_ueg -0.1630181E-01 Ec_ueg -0.2820215E-02 Delta_ex -0.1951964E-01 Delta_ec 0.6928874E-02 Delta_et -0.7572356E-01 Pxc 0.5780341E+01 Qxc -0.2817145E+01 3,-1 90 3 -1 0.846789 1.621485 1.616150 Rho 0.2817273E-01 |GRAD(Rho)| 0.3471623E-13 GRAD(Rho)x 0.2652965E-13 GRAD(Rho)y 0.2213501E-13 GRAD(Rho)z 0.3381621E-14 Laplacian 0.1078628E+00 (-1/4)Del**2(Rho)) -0.2696569E-01 Diamond 0.2457521E-01 Metallicity 0.1666440E+01 Ellipticity 0.1965171E+00 Gb(Abramov) 0.2546658E-01 Vb(Abramov) -0.2396747E-01 Hb(Abramov) 0.1499112E-02 Ex_ueg -0.6331261E-02 Ec_ueg -0.1249745E-02 Delta_ex -0.7662625E-02 Delta_ec 0.3143991E-02 Delta_et -0.2838096E-01 Pxc 0.5066041E+01 Qxc -0.2437228E+01 3,-1 91 3 -1 0.907101 -3.117239 -1.692331 Rho 0.2179824E+00 |GRAD(Rho)| 0.3646638E-15 GRAD(Rho)x -0.3595757E-15 GRAD(Rho)y -0.1029992E-16 GRAD(Rho)z 0.5982424E-16 Laplacian 0.8282837E+00 (-1/4)Del**2(Rho)) -0.2070709E+00 Diamond 0.2595754E+01 Metallicity 0.6568553E+01 Ellipticity 0.5385450E-02 Gb(Abramov) 0.3647400E+00 Vb(Abramov) -0.5224091E+00 Hb(Abramov) -0.1576691E+00 Ex_ueg -0.9689029E-01 Ec_ueg -0.1293039E-01 Delta_ex -0.9752228E-01 Delta_ec 0.1867055E-01 Delta_et -0.2568979E+00 Pxc 0.7493221E+01 Qxc -0.5223320E+01 3,-1 92 3 -1 1.005322 -3.040463 1.719486 Rho 0.2154096E+00 |GRAD(Rho)| 0.2534490E-14 GRAD(Rho)x 0.2445472E-14 GRAD(Rho)y 0.6655917E-15 GRAD(Rho)z -0.1704908E-16 Laplacian 0.8329729E+00 (-1/4)Del**2(Rho)) -0.2082432E+00 Diamond 0.2559918E+01 Metallicity 0.6403598E+01 Ellipticity 0.1035155E-01 Gb(Abramov) 0.3610798E+00 Vb(Abramov) -0.5139164E+00 Hb(Abramov) -0.1528366E+00 Ex_ueg -0.9536854E-01 Ec_ueg -0.1275584E-01 Delta_ex -0.9769079E-01 Delta_ec 0.1869133E-01 Delta_et -0.2564347E+00 Pxc 0.7476463E+01 Qxc -0.5226529E+01 3,-1 93 3 +1 1.634867 0.387961 0.839945 Rho 0.4695403E-02 |GRAD(Rho)| 0.5456734E-15 GRAD(Rho)x 0.4757965E-15 GRAD(Rho)y 0.1748261E-15 GRAD(Rho)z 0.2020224E-15 Laplacian 0.1748138E-01 (-1/4)Del**2(Rho)) -0.4370345E-02 Diamond 0.2279719E-03 Metallicity 0.5189898E+00 Ellipticity -0.1371478E+01 Gb(Abramov) 0.3291591E-02 Vb(Abramov) -0.2212837E-02 Hb(Abramov) 0.1078754E-02 Ex_ueg -0.5806960E-03 Ec_ueg -0.1338284E-03 Delta_ex -0.7106314E-03 Delta_ec 0.2860568E-03 Delta_et -0.1632054E-02 Pxc 0.4339110E+01 Qxc -0.2484231E+01 3,+1 94 3 -1 0.618085 0.823785 3.466084 Rho 0.8638628E-01 |GRAD(Rho)| 0.1063411E-13 GRAD(Rho)x -0.1036763E-13 GRAD(Rho)y 0.2365682E-14 GRAD(Rho)z -0.9894615E-17 Laplacian 0.3501046E+00 (-1/4)Del**2(Rho)) -0.8752615E-01 Diamond 0.3613478E+00 Metallicity 0.3322691E+01 Ellipticity 0.3245724E-01 Gb(Abramov) 0.1068212E+00 Vb(Abramov) -0.1261162E+00 Hb(Abramov) -0.1929501E-01 Ex_ueg -0.2820405E-01 Ec_ueg -0.4508048E-02 Delta_ex -0.3291333E-01 Delta_ec 0.9944875E-02 Delta_et -0.1197221E+00 Pxc 0.6256377E+01 Qxc -0.3309577E+01 3,-1 95 3 -1 0.675379 0.784244 -3.455276 Rho 0.6381113E-01 |GRAD(Rho)| 0.1070051E-12 GRAD(Rho)x 0.3466501E-13 GRAD(Rho)y 0.5159652E-13 GRAD(Rho)z 0.8709893E-13 Laplacian 0.2547953E+00 (-1/4)Del**2(Rho)) -0.6369883E-01 Diamond 0.1808516E+00 Metallicity 0.2755809E+01 Ellipticity 0.1479827E-01 Gb(Abramov) 0.7172286E-01 Vb(Abramov) -0.7974688E-01 Hb(Abramov) -0.8024028E-02 Ex_ueg -0.1883275E-01 Ec_ueg -0.3191439E-02 Delta_ex -0.2234149E-01 Delta_ec 0.7628010E-02 Delta_et -0.8563988E-01 Pxc 0.5901021E+01 Qxc -0.2928876E+01 3,-1 96 3 +1 0.639640 1.173916 -2.355568 Rho 0.2115268E-01 |GRAD(Rho)| 0.1376832E-15 GRAD(Rho)x 0.1562344E-16 GRAD(Rho)y 0.1711970E-16 GRAD(Rho)z -0.1357184E-15 Laplacian 0.8191728E-01 (-1/4)Del**2(Rho)) -0.2047932E-01 Diamond 0.9921743E-02 Metallicity 0.1360964E+01 Ellipticity -0.1310269E+02 Gb(Abramov) 0.1829815E-01 Vb(Abramov) -0.1611698E-01 Hb(Abramov) 0.2181172E-02 Ex_ueg -0.4320548E-02 Ec_ueg -0.8970299E-03 Delta_ex -0.5064730E-02 Delta_ec 0.1731274E-02 Delta_et -0.1454680E-01 Pxc 0.4816504E+01 Qxc -0.2925435E+01 3,+1 97 3 +1 1.492090 0.440934 -0.818661 Rho 0.5259077E-02 |GRAD(Rho)| 0.7008230E-17 GRAD(Rho)x -0.5802464E-17 GRAD(Rho)y 0.1613128E-17 GRAD(Rho)z 0.3583924E-17 Laplacian 0.2009970E-01 (-1/4)Del**2(Rho)) -0.5024926E-02 Diamond 0.3062364E-03 Metallicity 0.5452630E+00 Ellipticity -0.1389825E+01 Gb(Abramov) 0.3806602E-02 Vb(Abramov) -0.2588277E-02 Hb(Abramov) 0.1218324E-02 Ex_ueg -0.6754570E-03 Ec_ueg -0.1580789E-03 Delta_ex -0.8395114E-03 Delta_ec 0.3300282E-03 Delta_et -0.1941454E-02 Pxc 0.4272911E+01 Qxc -0.2543757E+01 3,+1 98 3 +1 0.758859 1.399026 2.155096 Rho 0.2402400E-01 |GRAD(Rho)| 0.7265855E-16 GRAD(Rho)x 0.2153919E-16 GRAD(Rho)y 0.5042448E-16 GRAD(Rho)z 0.4767285E-16 Laplacian 0.9135778E-01 (-1/4)Del**2(Rho)) -0.2283945E-01 Diamond 0.1090339E-01 Metallicity 0.1508724E+01 Ellipticity -0.3235586E+01 Gb(Abramov) 0.2096937E-01 Vb(Abramov) -0.1909929E-01 Hb(Abramov) 0.1870077E-02 Ex_ueg -0.5119712E-02 Ec_ueg -0.1039701E-02 Delta_ex -0.5575207E-02 Delta_ec 0.1466865E-02 Delta_et -0.1284403E-01 Pxc 0.4924217E+01 Qxc -0.3800763E+01 3,+1 99 3 -1 0.646434 -0.631534 3.195182 Rho 0.1413003E+00 |GRAD(Rho)| 0.2116348E-11 GRAD(Rho)x 0.1575071E-11 GRAD(Rho)y -0.1225358E-11 GRAD(Rho)z -0.7046818E-12 Laplacian 0.5733231E+00 (-1/4)Del**2(Rho)) -0.1433308E+00 Diamond 0.1074466E+01 Metallicity 0.4607362E+01 Ellipticity 0.1890467E-01 Gb(Abramov) 0.2056166E+00 Vb(Abramov) -0.2679025E+00 Hb(Abramov) -0.6228587E-01 Ex_ueg -0.5435539E-01 Ec_ueg -0.7888957E-02 Delta_ex -0.6060080E-01 Delta_ec 0.1462901E-01 Delta_et -0.1927894E+00 Pxc 0.6890061E+01 Qxc -0.4142509E+01 3,-1 100 3 -1 -0.099603 0.382179 2.412426 Rho 0.5573399E-01 |GRAD(Rho)| 0.7138053E-15 GRAD(Rho)x 0.2142285E-15 GRAD(Rho)y -0.4626159E-15 GRAD(Rho)z -0.4996105E-15 Laplacian 0.2136378E+00 (-1/4)Del**2(Rho)) -0.5340945E-01 Diamond 0.1271454E+00 Metallicity 0.2623022E+01 Ellipticity 0.2364298E-01 Gb(Abramov) 0.5895533E-01 Vb(Abramov) -0.6450121E-01 Hb(Abramov) -0.5545876E-02 Ex_ueg -0.1572336E-01 Ec_ueg -0.2734196E-02 Delta_ex -0.1813485E-01 Delta_ec 0.6468347E-02 Delta_et -0.7019242E-01 Pxc 0.5750632E+01 Qxc -0.2803630E+01 3,-1 101 3 +3 1.629557 0.040686 -1.563577 Rho 0.3563920E-02 |GRAD(Rho)| 0.5295989E-15 GRAD(Rho)x -0.6899204E-16 GRAD(Rho)y 0.5095986E-15 GRAD(Rho)z -0.1265874E-15 Laplacian 0.1452871E-01 (-1/4)Del**2(Rho)) -0.3632179E-02 Diamond 0.1013491E-03 Metallicity 0.3943961E+00 Ellipticity -0.1211898E+00 Gb(Abramov) 0.2660205E-02 Vb(Abramov) -0.1688232E-02 Hb(Abramov) 0.9719734E-03 Ex_ueg -0.4020583E-03 Ec_ueg -0.8564577E-04 Delta_ex -0.5120344E-03 Delta_ec 0.1615022E-03 Delta_et -0.9145351E-03 Pxc 0.4694433E+01 Qxc -0.3170448E+01 3,+3 102 3 +3 1.726380 -0.020842 1.498695 Rho 0.3463390E-02 |GRAD(Rho)| 0.8754504E-15 GRAD(Rho)x -0.7486215E-15 GRAD(Rho)y 0.4262414E-15 GRAD(Rho)z -0.1558761E-15 Laplacian 0.1395073E-01 (-1/4)Del**2(Rho)) -0.3487682E-02 Diamond 0.8045524E-04 Metallicity 0.3916084E+00 Ellipticity -0.2580138E+00 Gb(Abramov) 0.2552755E-02 Vb(Abramov) -0.1617829E-02 Hb(Abramov) 0.9349264E-03 Ex_ueg -0.3870083E-03 Ec_ueg -0.8139763E-04 Delta_ex -0.4683165E-03 Delta_ec 0.1194447E-03 Delta_et -0.7132240E-03 Pxc 0.4754540E+01 Qxc -0.3920780E+01 3,+3 103 3 -1 0.537008 -0.633970 -3.160155 Rho 0.1221746E+00 |GRAD(Rho)| 0.5866597E-13 GRAD(Rho)x -0.3490252E-13 GRAD(Rho)y 0.3826934E-13 GRAD(Rho)z -0.2754937E-13 Laplacian 0.5004653E+00 (-1/4)Del**2(Rho)) -0.1251163E+00 Diamond 0.7915645E+00 Metallicity 0.4141974E+01 Ellipticity 0.6388530E-02 Gb(Abramov) 0.1697823E+00 Vb(Abramov) -0.2144483E+00 Hb(Abramov) -0.4466599E-01 Ex_ueg -0.4477404E-01 Ec_ueg -0.6686884E-02 Delta_ex -0.5112356E-01 Delta_ec 0.1331863E-01 Delta_et -0.1716778E+00 Pxc 0.6695800E+01 Qxc -0.3838500E+01 3,-1 104 3 -1 0.445892 -0.695901 -0.004761 Rho 0.1585605E+00 |GRAD(Rho)| 0.1015919E-13 GRAD(Rho)x -0.8784640E-14 GRAD(Rho)y 0.5089679E-14 GRAD(Rho)z 0.3665145E-15 Laplacian 0.3675611E+00 (-1/4)Del**2(Rho)) -0.9189026E-01 Diamond 0.8139678E+00 Metallicity 0.8708470E+01 Ellipticity 0.2510607E-02 Gb(Abramov) 0.1946308E+00 Vb(Abramov) -0.2973713E+00 Hb(Abramov) -0.1027405E+00 Ex_ueg -0.6338380E-01 Ec_ueg -0.8993740E-02 Delta_ex -0.4018112E-01 Delta_ec 0.9490495E-02 Delta_et -0.1280152E+00 Pxc 0.7047546E+01 Qxc -0.4233828E+01 3,-1 105 3 +1 3.036527 -2.019010 -0.041256 Rho 0.1113419E-01 |GRAD(Rho)| 0.1715967E-16 GRAD(Rho)x -0.5251034E-17 GRAD(Rho)y -0.9948164E-17 GRAD(Rho)z 0.1295820E-16 Laplacian 0.5012931E-01 (-1/4)Del**2(Rho)) -0.1253233E-01 Diamond 0.1610059E-02 Metallicity 0.7631666E+00 Ellipticity -0.1225204E+01 Gb(Abramov) 0.9948926E-02 Vb(Abramov) -0.7365526E-02 Hb(Abramov) 0.2583400E-02 Ex_ueg -0.1836242E-02 Ec_ueg -0.4197493E-03 Delta_ex -0.2351299E-02 Delta_ec 0.5351228E-03 Delta_et -0.4031642E-02 Pxc 0.4374617E+01 Qxc -0.4393944E+01 3,+1 106 3 -1 0.842666 2.992319 -1.999741 Rho 0.1585623E+00 |GRAD(Rho)| 0.1904224E-13 GRAD(Rho)x -0.1112706E-13 GRAD(Rho)y -0.1545224E-13 GRAD(Rho)z -0.1547258E-15 Laplacian 0.6126324E+00 (-1/4)Del**2(Rho)) -0.1531581E+00 Diamond 0.1319112E+01 Metallicity 0.5224923E+01 Ellipticity 0.4640834E-01 Gb(Abramov) 0.2354786E+00 Vb(Abramov) -0.3177991E+00 Hb(Abramov) -0.8232052E-01 Ex_ueg -0.6338480E-01 Ec_ueg -0.8993861E-02 Delta_ex -0.6662438E-01 Delta_ec 0.1519743E-01 Delta_et -0.2034918E+00 Pxc 0.7047563E+01 Qxc -0.4383923E+01 3,-1 107 3 -1 0.839454 2.969270 1.981557 Rho 0.8695524E-01 |GRAD(Rho)| 0.1086464E-13 GRAD(Rho)x 0.9880548E-14 GRAD(Rho)y -0.4437856E-14 GRAD(Rho)z -0.8489422E-15 Laplacian 0.3425029E+00 (-1/4)Del**2(Rho)) -0.8562573E-01 Diamond 0.3573115E+00 Metallicity 0.3433801E+01 Ellipticity 0.1729570E-01 Gb(Abramov) 0.1060874E+00 Vb(Abramov) -0.1265492E+00 Hb(Abramov) -0.2046171E-01 Ex_ueg -0.2845200E-01 Ec_ueg -0.4541874E-02 Delta_ex -0.3226759E-01 Delta_ec 0.9751855E-02 Delta_et -0.1175983E+00 Pxc 0.6264374E+01 Qxc -0.3308867E+01 3,-1 108 3 +1 2.451834 -1.191375 -0.625640 Rho 0.1894919E-01 |GRAD(Rho)| 0.1085615E-13 GRAD(Rho)x 0.1075826E-13 GRAD(Rho)y 0.9184438E-15 GRAD(Rho)z -0.1127916E-14 Laplacian 0.7110154E-01 (-1/4)Del**2(Rho)) -0.1777539E-01 Diamond 0.7253823E-02 Metallicity 0.1305325E+01 Ellipticity -0.7798753E+01 Gb(Abramov) 0.1571737E-01 Vb(Abramov) -0.1365935E-01 Hb(Abramov) 0.2058020E-02 Ex_ueg -0.3731121E-02 Ec_ueg -0.7891778E-03 Delta_ex -0.4251054E-02 Delta_ec 0.1459262E-02 Delta_et -0.1191954E-01 Pxc 0.4727858E+01 Qxc -0.2913153E+01 3,+1 109 3 -1 1.514571 -1.866779 0.829194 Rho 0.5126862E-01 |GRAD(Rho)| 0.1190888E-15 GRAD(Rho)x -0.4421025E-16 GRAD(Rho)y 0.8074977E-16 GRAD(Rho)z -0.7554517E-16 Laplacian 0.1982414E+00 (-1/4)Del**2(Rho)) -0.4956035E-01 Diamond 0.1053050E+00 Metallicity 0.2459451E+01 Ellipticity 0.1858452E-01 Gb(Abramov) 0.5335545E-01 Vb(Abramov) -0.5715054E-01 Hb(Abramov) -0.3795091E-02 Ex_ueg -0.1406654E-01 Ec_ueg -0.2485118E-02 Delta_ex -0.1647650E-01 Delta_ec 0.6004604E-02 Delta_et -0.6376241E-01 Pxc 0.5660311E+01 Qxc -0.2743979E+01 3,-1 110 3 -1 1.439326 -1.891102 -2.293569 Rho 0.1380337E+00 |GRAD(Rho)| 0.2821028E-14 GRAD(Rho)x -0.1139740E-14 GRAD(Rho)y 0.2574628E-14 GRAD(Rho)z 0.1745972E-15 Laplacian 0.5640962E+00 (-1/4)Del**2(Rho)) -0.1410240E+00 Diamond 0.1027987E+01 Metallicity 0.4503688E+01 Ellipticity 0.7128461E-02 Gb(Abramov) 0.1998707E+00 Vb(Abramov) -0.2587175E+00 Hb(Abramov) -0.5884670E-01 Ex_ueg -0.5268638E-01 Ec_ueg -0.7681953E-02 Delta_ex -0.5928745E-01 Delta_ec 0.1447820E-01 Delta_et -0.1901426E+00 Pxc 0.6858462E+01 Qxc -0.4094947E+01 3,-1 111 3 -1 1.455682 -1.884240 -0.848641 Rho 0.5441335E-01 |GRAD(Rho)| 0.2830331E-14 GRAD(Rho)x 0.5748379E-15 GRAD(Rho)y -0.1956937E-14 GRAD(Rho)z -0.1962329E-14 Laplacian 0.2086063E+00 (-1/4)Del**2(Rho)) -0.5215159E-01 Diamond 0.1197212E+00 Metallicity 0.2581040E+01 Ellipticity 0.2374917E-01 Gb(Abramov) 0.5720194E-01 Vb(Abramov) -0.6225230E-01 Hb(Abramov) -0.5050357E-02 Ex_ueg -0.1522856E-01 Ec_ueg -0.2660241E-02 Delta_ex -0.1758350E-01 Delta_ec 0.6286317E-02 Delta_et -0.6778493E-01 Pxc 0.5724505E+01 Qxc -0.2797106E+01 3,-1 112 3 -1 1.561890 -1.857768 2.330684 Rho 0.1185688E+00 |GRAD(Rho)| 0.3131486E-15 GRAD(Rho)x 0.9978387E-16 GRAD(Rho)y -0.1861507E-15 GRAD(Rho)z -0.2311993E-15 Laplacian 0.4825478E+00 (-1/4)Del**2(Rho)) -0.1206370E+00 Diamond 0.7371079E+00 Metallicity 0.4086549E+01 Ellipticity 0.3293867E-02 Gb(Abramov) 0.1625894E+00 Vb(Abramov) -0.2045419E+00 Hb(Abramov) -0.4195248E-01 Ex_ueg -0.4302084E-01 Ec_ueg -0.6463009E-02 Delta_ex -0.4895413E-01 Delta_ec 0.1295367E-01 Delta_et -0.1661430E+00 Pxc 0.6656472E+01 Qxc -0.3779172E+01 3,-1 113 3 -1 1.585245 1.985882 -2.693786 Rho 0.1775147E+00 |GRAD(Rho)| 0.3388626E-13 GRAD(Rho)x 0.2026007E-13 GRAD(Rho)y 0.2715804E-13 GRAD(Rho)z 0.4990854E-15 Laplacian 0.6711412E+00 (-1/4)Del**2(Rho)) -0.1677853E+00 Diamond 0.1654389E+01 Metallicity 0.5756915E+01 Ellipticity 0.5018399E-01 Gb(Abramov) 0.2728445E+00 Vb(Abramov) -0.3779037E+00 Hb(Abramov) -0.1050592E+00 Ex_ueg -0.7368247E-01 Ec_ueg -0.1022755E-01 Delta_ex -0.7507106E-01 Delta_ec 0.1616244E-01 Delta_et -0.2192508E+00 Pxc 0.7204316E+01 Qxc -0.4644785E+01 3,-1 114 3 -1 1.518857 2.007486 2.688269 Rho 0.1560448E+00 |GRAD(Rho)| 0.2947927E-15 GRAD(Rho)x 0.5053737E-16 GRAD(Rho)y 0.1579818E-15 GRAD(Rho)z -0.2437015E-15 Laplacian 0.5912683E+00 (-1/4)Del**2(Rho)) -0.1478171E+00 Diamond 0.1250443E+01 Metallicity 0.5271213E+01 Ellipticity 0.4437114E-01 Gb(Abramov) 0.2284073E+00 Vb(Abramov) -0.3089975E+00 Hb(Abramov) -0.8059020E-01 Ex_ueg -0.6204651E-01 Ec_ueg -0.8831583E-02 Delta_ex -0.6406134E-01 Delta_ec 0.1475344E-01 Delta_et -0.1972062E+00 Pxc 0.7025526E+01 Qxc -0.4342129E+01 3,-1 115 3 +1 2.536939 1.792757 0.094211 Rho 0.1232247E-01 |GRAD(Rho)| 0.2305896E-14 GRAD(Rho)x -0.1020105E-14 GRAD(Rho)y 0.1314190E-14 GRAD(Rho)z 0.1596699E-14 Laplacian 0.5982113E-01 (-1/4)Del**2(Rho)) -0.1495528E-01 Diamond 0.2451972E-02 Metallicity 0.7572773E+00 Ellipticity -0.1288977E+01 Gb(Abramov) 0.1185774E-01 Vb(Abramov) -0.8760192E-02 Hb(Abramov) 0.3097545E-02 Ex_ueg -0.2102078E-02 Ec_ueg -0.4744758E-03 Delta_ex -0.2951687E-02 Delta_ec 0.7596116E-03 Delta_et -0.5745611E-02 Pxc 0.4430316E+01 Qxc -0.3885785E+01 3,+1 116 3 -1 2.076274 -3.047770 -0.805630 Rho 0.1240630E+00 |GRAD(Rho)| 0.2588566E-15 GRAD(Rho)x -0.6600081E-16 GRAD(Rho)y -0.2312061E-16 GRAD(Rho)z -0.2492310E-15 Laplacian 0.4691543E+00 (-1/4)Del**2(Rho)) -0.1172886E+00 Diamond 0.7616855E+00 Metallicity 0.4532816E+01 Ellipticity 0.4577599E-01 Gb(Abramov) 0.1668003E+00 Vb(Abramov) -0.2163120E+00 Hb(Abramov) -0.4951172E-01 Ex_ueg -0.4569915E-01 Ec_ueg -0.6804489E-02 Delta_ex -0.4817625E-01 Delta_ec 0.1257403E-01 Delta_et -0.1627355E+00 Pxc 0.6716030E+01 Qxc -0.3831409E+01 3,-1 117 3 -1 2.134014 -3.033036 0.792380 Rho 0.1315692E+00 |GRAD(Rho)| 0.6904962E-16 GRAD(Rho)x -0.5815051E-16 GRAD(Rho)y -0.1630369E-16 GRAD(Rho)z 0.3347474E-16 Laplacian 0.4951256E+00 (-1/4)Del**2(Rho)) -0.1237814E+00 Diamond 0.8635460E+00 Metallicity 0.4736834E+01 Ellipticity 0.4763383E-01 Gb(Abramov) 0.1802429E+00 Vb(Abramov) -0.2367044E+00 Hb(Abramov) -0.5646152E-01 Ex_ueg -0.4942242E-01 Ec_ueg -0.7274335E-02 Delta_ex -0.5157583E-01 Delta_ec 0.1310581E-01 Delta_et -0.1713236E+00 Pxc 0.6794081E+01 Qxc -0.3935341E+01 3,-1 118 3 -1 2.243849 -3.189623 -2.309359 Rho 0.2106018E+00 |GRAD(Rho)| 0.1046041E-11 GRAD(Rho)x -0.5869386E-12 GRAD(Rho)y 0.5619831E-12 GRAD(Rho)z 0.6586958E-12 Laplacian 0.7859313E+00 (-1/4)Del**2(Rho)) -0.1964828E+00 Diamond 0.2374337E+01 Metallicity 0.6536301E+01 Ellipticity 0.1846612E-01 Gb(Abramov) 0.3450337E+00 Vb(Abramov) -0.4935845E+00 Hb(Abramov) -0.1485509E+00 Ex_ueg -0.9254106E-01 Ec_ueg -0.1243062E-01 Delta_ex -0.9178804E-01 Delta_ec 0.1801675E-01 Delta_et -0.2478689E+00 Pxc 0.7444604E+01 Qxc -0.5094596E+01 3,-1 119 3 +1 1.759857 -2.292574 0.019679 Rho 0.2946693E-01 |GRAD(Rho)| 0.9708161E-16 GRAD(Rho)x 0.3195040E-16 GRAD(Rho)y -0.9120926E-16 GRAD(Rho)z 0.9213147E-17 Laplacian 0.1195138E+00 (-1/4)Del**2(Rho)) -0.2987845E-01 Diamond 0.2092981E-01 Metallicity 0.1620889E+01 Ellipticity -0.9156028E+01 Gb(Abramov) 0.2799058E-01 Vb(Abramov) -0.2610270E-01 Hb(Abramov) 0.1887874E-02 Ex_ueg -0.6721997E-02 Ec_ueg -0.1316144E-02 Delta_ex -0.7884229E-02 Delta_ec 0.2234602E-02 Delta_et -0.2050135E-01 Pxc 0.5107342E+01 Qxc -0.3528247E+01 3,+1 120 3 +1 2.504155 -1.023424 0.418508 Rho 0.2036978E-01 |GRAD(Rho)| 0.5911152E-14 GRAD(Rho)x 0.5215225E-14 GRAD(Rho)y 0.2496265E-14 GRAD(Rho)z -0.1229556E-14 Laplacian 0.7546819E-01 (-1/4)Del**2(Rho)) -0.1886705E-01 Diamond 0.7516713E-02 Metallicity 0.1387266E+01 Ellipticity -0.3529559E+01 Gb(Abramov) 0.1694030E-01 Vb(Abramov) -0.1501355E-01 Hb(Abramov) 0.1926748E-02 Ex_ueg -0.4108659E-02 Ec_ueg -0.8585414E-03 Delta_ex -0.4455429E-02 Delta_ec 0.1298356E-02 Delta_et -0.1088615E-01 Pxc 0.4785627E+01 Qxc -0.3431593E+01 3,+1 121 3 +1 2.266817 -0.064784 2.076902 Rho 0.4653523E-02 |GRAD(Rho)| 0.3889438E-17 GRAD(Rho)x 0.1633871E-17 GRAD(Rho)y 0.1569024E-17 GRAD(Rho)z -0.3161701E-17 Laplacian 0.1840553E-01 (-1/4)Del**2(Rho)) -0.4601381E-02 Diamond 0.4066885E-03 Metallicity 0.4856253E+00 Ellipticity -0.3632288E+01 Gb(Abramov) 0.3440012E-02 Vb(Abramov) -0.2278643E-02 Hb(Abramov) 0.1161369E-02 Ex_ueg -0.5738004E-03 Ec_ueg -0.1320331E-03 Delta_ex -0.9199128E-03 Delta_ec 0.6105187E-03 Delta_et -0.3232235E-02 Pxc 0.4345884E+01 Qxc -0.1506772E+01 3,+1 122 3 -1 2.469034 -0.685292 -0.039769 Rho 0.2301164E-01 |GRAD(Rho)| 0.5192930E-16 GRAD(Rho)x -0.4927953E-16 GRAD(Rho)y -0.1607756E-16 GRAD(Rho)z 0.3113285E-17 Laplacian 0.8827497E-01 (-1/4)Del**2(Rho)) -0.2206874E-01 Diamond 0.1475089E-01 Metallicity 0.1453299E+01 Ellipticity 0.1643434E+00 Gb(Abramov) 0.2005791E-01 Vb(Abramov) -0.1804707E-01 Hb(Abramov) 0.2010835E-02 Ex_ueg -0.4834095E-02 Ec_ueg -0.9891339E-03 Delta_ex -0.5910108E-02 Delta_ec 0.2461638E-02 Delta_et -0.2101312E-01 Pxc 0.4887200E+01 Qxc -0.2400885E+01 3,-1 123 3 -1 2.330390 3.214120 -2.200706 Rho 0.2146889E+00 |GRAD(Rho)| 0.6165169E-15 GRAD(Rho)x -0.5351622E-15 GRAD(Rho)y -0.3016250E-15 GRAD(Rho)z 0.5212302E-16 Laplacian 0.7662938E+00 (-1/4)Del**2(Rho)) -0.1915734E+00 Diamond 0.2387363E+01 Metallicity 0.6922037E+01 Ellipticity 0.2477845E-02 Gb(Abramov) 0.3487287E+00 Vb(Abramov) -0.5058840E+00 Hb(Abramov) -0.1571553E+00 Ex_ueg -0.9494335E-01 Ec_ueg -0.1270701E-01 Delta_ex -0.9005124E-01 Delta_ec 0.1767283E-01 Delta_et -0.2442080E+00 Pxc 0.7471732E+01 Qxc -0.5095462E+01 3,-1 124 3 -1 2.345007 3.197038 2.204414 Rho 0.2140235E+00 |GRAD(Rho)| 0.4004592E-12 GRAD(Rho)x -0.2213463E-12 GRAD(Rho)y -0.3023683E-12 GRAD(Rho)z -0.1412329E-12 Laplacian 0.7660235E+00 (-1/4)Del**2(Rho)) -0.1915059E+00 Diamond 0.2377552E+01 Metallicity 0.6888746E+01 Ellipticity 0.3125107E-02 Gb(Abramov) 0.3475432E+00 Vb(Abramov) -0.5035804E+00 Hb(Abramov) -0.1560373E+00 Ex_ueg -0.9455120E-01 Ec_ueg -0.1266195E-01 Delta_ex -0.8994714E-01 Delta_ec 0.1768113E-01 Delta_et -0.2442687E+00 Pxc 0.7467351E+01 Qxc -0.5087183E+01 3,-1 125 3 -1 1.643570 2.756025 -0.875237 Rho 0.1092859E+00 |GRAD(Rho)| 0.2724641E-15 GRAD(Rho)x -0.5134036E-16 GRAD(Rho)y 0.8276359E-16 GRAD(Rho)z 0.2544622E-15 Laplacian 0.4481674E+00 (-1/4)Del**2(Rho)) -0.1120419E+00 Diamond 0.6158173E+00 Metallicity 0.3841020E+01 Ellipticity 0.1957773E-01 Gb(Abramov) 0.1464204E+00 Vb(Abramov) -0.1807989E+00 Hb(Abramov) -0.3437854E-01 Ex_ueg -0.3858963E-01 Ec_ueg -0.5890913E-02 Delta_ex -0.4452394E-01 Delta_ec 0.1212806E-01 Delta_et -0.1530832E+00 Pxc 0.6550705E+01 Qxc -0.3671150E+01 3,-1 126 3 +3 2.742156 -1.844693 -0.051452 Rho 0.1071752E-01 |GRAD(Rho)| 0.1446154E-16 GRAD(Rho)x 0.1081164E-16 GRAD(Rho)y 0.6978146E-17 GRAD(Rho)z -0.6599257E-17 Laplacian 0.4722176E-01 (-1/4)Del**2(Rho)) -0.1180544E-01 Diamond 0.8880010E-03 Metallicity 0.7602591E+00 Ellipticity -0.5207637E+00 Gb(Abramov) 0.9366160E-02 Vb(Abramov) -0.6926878E-02 Hb(Abramov) 0.2439281E-02 Ex_ueg -0.1745196E-02 Ec_ueg -0.4006938E-03 Delta_ex -0.2007104E-02 Delta_ec 0.1734182E-03 Delta_et -0.1621507E-02 Pxc 0.4355436E+01 Qxc -0.1157378E+02 3,+3 127 3 -1 2.487755 1.818882 1.605319 Rho 0.1729229E+00 |GRAD(Rho)| 0.3250291E-11 GRAD(Rho)x -0.2196104E-11 GRAD(Rho)y 0.2230430E-11 GRAD(Rho)z 0.8756132E-12 Laplacian 0.7017238E+00 (-1/4)Del**2(Rho)) -0.1754309E+00 Diamond 0.1657666E+01 Metallicity 0.5270692E+01 Ellipticity 0.3718429E-01 Gb(Abramov) 0.2710610E+00 Vb(Abramov) -0.3666911E+00 Hb(Abramov) -0.9563010E-01 Ex_ueg -0.7115219E-01 Ec_ueg -0.9926716E-02 Delta_ex -0.7782418E-01 Delta_ec 0.1674299E-01 Delta_et -0.2257097E+00 Pxc 0.7167747E+01 Qxc -0.4648163E+01 3,-1 128 3 -1 2.743109 -1.960034 1.492383 Rho 0.7563510E-01 |GRAD(Rho)| 0.1343584E-12 GRAD(Rho)x 0.9126516E-14 GRAD(Rho)y 0.1075436E-12 GRAD(Rho)z -0.8002048E-13 Laplacian 0.3060854E+00 (-1/4)Del**2(Rho)) -0.7652134E-01 Diamond 0.2689181E+00 Metallicity 0.3045390E+01 Ellipticity 0.1582800E-01 Gb(Abramov) 0.8985378E-01 Vb(Abramov) -0.1031862E+00 Hb(Abramov) -0.1333244E-01 Ex_ueg -0.2362379E-01 Ec_ueg -0.3874539E-02 Delta_ex -0.2791960E-01 Delta_ec 0.8937609E-02 Delta_et -0.1044837E+00 Pxc 0.6097188E+01 Qxc -0.3123833E+01 3,-1 129 3 -1 3.331366 0.560422 -0.659172 Rho 0.1346081E+00 |GRAD(Rho)| 0.1033417E-13 GRAD(Rho)x -0.9851481E-14 GRAD(Rho)y 0.1502935E-14 GRAD(Rho)z -0.2735801E-14 Laplacian 0.5619740E+00 (-1/4)Del**2(Rho)) -0.1404935E+00 Diamond 0.9869138E+00 Metallicity 0.4335265E+01 Ellipticity 0.1354675E-01 Gb(Abramov) 0.1951751E+00 Vb(Abramov) -0.2498567E+00 Hb(Abramov) -0.5468159E-01 Ex_ueg -0.5095030E-01 Ec_ueg -0.7465617E-02 Delta_ex -0.5862697E-01 Delta_ec 0.1437333E-01 Delta_et -0.1877663E+00 Pxc 0.6824660E+01 Qxc -0.4078871E+01 3,-1 130 3 -1 3.390589 0.565106 0.683120 Rho 0.7937352E-01 |GRAD(Rho)| 0.1065847E-13 GRAD(Rho)x -0.9622936E-14 GRAD(Rho)y 0.1964158E-14 GRAD(Rho)z 0.4140561E-14 Laplacian 0.3251627E+00 (-1/4)Del**2(Rho)) -0.8129068E-01 Diamond 0.3032876E+00 Metallicity 0.3106742E+01 Ellipticity 0.2171911E-02 Gb(Abramov) 0.9628532E-01 Vb(Abramov) -0.1112799E+00 Hb(Abramov) -0.1499463E-01 Ex_ueg -0.2519335E-01 Ec_ueg -0.4093568E-02 Delta_ex -0.2999370E-01 Delta_ec 0.9417596E-02 Delta_et -0.1113111E+00 Pxc 0.6154374E+01 Qxc -0.3184857E+01 3,-1 131 3 -1 4.661380 0.057777 -0.071879 Rho 0.2138026E+00 |GRAD(Rho)| 0.6208630E-12 GRAD(Rho)x -0.6050435E-12 GRAD(Rho)y -0.1378126E-12 GRAD(Rho)z 0.2002225E-13 Laplacian 0.7622063E+00 (-1/4)Del**2(Rho)) -0.1905516E+00 Diamond 0.2363454E+01 Metallicity 0.6911339E+01 Ellipticity 0.4017554E-02 Gb(Abramov) 0.3465288E+00 Vb(Abramov) -0.5025061E+00 Hb(Abramov) -0.1559772E+00 Ex_ueg -0.9442109E-01 Ec_ueg -0.1264699E-01 Delta_ex -0.8947941E-01 Delta_ec 0.1760571E-01 Delta_et -0.2432385E+00 Pxc 0.7465893E+01 Qxc -0.5082407E+01 3,-1 132 3 -1 -1.520152 2.014060 -2.711275 Rho 0.1243901E+00 |GRAD(Rho)| 0.1400584E-13 GRAD(Rho)x 0.9780483E-14 GRAD(Rho)y 0.9131273E-14 GRAD(Rho)z 0.4138318E-14 Laplacian 0.4837135E+00 (-1/4)Del**2(Rho)) -0.1209284E+00 Diamond 0.7908739E+00 Metallicity 0.4415719E+01 Ellipticity 0.3648544E-01 Gb(Abramov) 0.1696165E+00 Vb(Abramov) -0.2183047E+00 Hb(Abramov) -0.4868815E-01 Ex_ueg -0.4585988E-01 Ec_ueg -0.6824884E-02 Delta_ex -0.4974173E-01 Delta_ec 0.1302611E-01 Delta_et -0.1687829E+00 Pxc 0.6719510E+01 Qxc -0.3818618E+01 3,-1 133 3 -1 -1.566190 2.044660 2.767830 Rho 0.1569382E+00 |GRAD(Rho)| 0.4525048E-15 GRAD(Rho)x -0.1296435E-15 GRAD(Rho)y 0.3188096E-15 GRAD(Rho)z -0.2937917E-15 Laplacian 0.6048484E+00 (-1/4)Del**2(Rho)) -0.1512121E+00 Diamond 0.1287823E+01 Metallicity 0.5202128E+01 Ellipticity 0.7692472E-01 Gb(Abramov) 0.2319122E+00 Vb(Abramov) -0.3126122E+00 Hb(Abramov) -0.8070006E-01 Ex_ueg -0.6252061E-01 Ec_ueg -0.8889126E-02 Delta_ex -0.6562403E-01 Delta_ec 0.1506821E-01 Delta_et -0.2015572E+00 Pxc 0.7033380E+01 Qxc -0.4355132E+01 3,-1 134 3 -1 -1.717072 2.774667 -0.850553 Rho 0.1579628E+00 |GRAD(Rho)| 0.1102267E-13 GRAD(Rho)x 0.5094757E-14 GRAD(Rho)y -0.6200803E-14 GRAD(Rho)z 0.7555968E-14 Laplacian 0.6493567E+00 (-1/4)Del**2(Rho)) -0.1623392E+00 Diamond 0.1399380E+01 Metallicity 0.4898401E+01 Ellipticity 0.1753991E-01 Gb(Abramov) 0.2407598E+00 Vb(Abramov) -0.3191805E+00 Hb(Abramov) -0.7842066E-01 Ex_ueg -0.6306542E-01 Ec_ueg -0.8955178E-02 Delta_ex -0.7062197E-01 Delta_ec 0.1624909E-01 Delta_et -0.2177822E+00 Pxc 0.7042342E+01 Qxc -0.4346212E+01 3,-1 135 3 -1 -0.200524 0.252682 0.670432 Rho 0.1644845E+00 |GRAD(Rho)| 0.1553548E-12 GRAD(Rho)x -0.2910519E-13 GRAD(Rho)y 0.1372843E-12 GRAD(Rho)z 0.6664114E-13 Laplacian 0.3901496E+00 (-1/4)Del**2(Rho)) -0.9753741E-01 Diamond 0.9021296E+00 Metallicity 0.8721479E+01 Ellipticity 0.7771493E-02 Gb(Abramov) 0.2068033E+00 Vb(Abramov) -0.3160693E+00 Hb(Abramov) -0.1092659E+00 Ex_ueg -0.6656076E-01 Ec_ueg -0.9377086E-02 Delta_ex -0.4303131E-01 Delta_ec 0.9969549E-02 Delta_et -0.1351101E+00 Pxc 0.7098235E+01 Qxc -0.4316274E+01 3,-1 136 3 -1 -0.184611 0.402819 -2.419186 Rho 0.5308564E-01 |GRAD(Rho)| 0.4555187E-14 GRAD(Rho)x -0.4110929E-15 GRAD(Rho)y -0.1208672E-14 GRAD(Rho)z -0.4372624E-14 Laplacian 0.2036072E+00 (-1/4)Del**2(Rho)) -0.5090179E-01 Diamond 0.1130856E+00 Metallicity 0.2537748E+01 Ellipticity 0.1936015E-01 Gb(Abramov) 0.5546385E-01 Vb(Abramov) -0.6002591E-01 Hb(Abramov) -0.4562056E-02 Ex_ueg -0.1473515E-01 Ec_ueg -0.2586133E-02 Delta_ex -0.1705905E-01 Delta_ec 0.6143335E-02 Delta_et -0.6582294E-01 Pxc 0.5697752E+01 Qxc -0.2776839E+01 3,-1 137 3 -1 0.004855 -0.073732 4.472098 Rho 0.2098775E+00 |GRAD(Rho)| 0.2390921E-14 GRAD(Rho)x 0.1564544E-14 GRAD(Rho)y -0.1789835E-14 GRAD(Rho)z 0.2553296E-15 Laplacian 0.7865822E+00 (-1/4)Del**2(Rho)) -0.1966456E+00 Diamond 0.2367115E+01 Metallicity 0.6493498E+01 Ellipticity 0.1896613E-01 Gb(Abramov) 0.3439166E+00 Vb(Abramov) -0.4911877E+00 Hb(Abramov) -0.1472711E+00 Ex_ueg -0.9211693E-01 Ec_ueg -0.1238174E-01 Delta_ex -0.9178675E-01 Delta_ec 0.1805627E-01 Delta_et -0.2483819E+00 Pxc 0.7439742E+01 Qxc -0.5083372E+01 3,-1 138 3 -1 -0.002302 -0.060747 -4.476315 Rho 0.2107088E+00 |GRAD(Rho)| 0.1133498E-14 GRAD(Rho)x 0.2341064E-15 GRAD(Rho)y -0.7394259E-16 GRAD(Rho)z -0.1106591E-14 Laplacian 0.7853126E+00 (-1/4)Del**2(Rho)) -0.1963282E+00 Diamond 0.2374939E+01 Metallicity 0.6546991E+01 Ellipticity 0.1952792E-01 Gb(Abramov) 0.3451119E+00 Vb(Abramov) -0.4938956E+00 Hb(Abramov) -0.1487837E+00 Ex_ueg -0.9260376E-01 Ec_ueg -0.1243785E-01 Delta_ex -0.9173425E-01 Delta_ec 0.1801155E-01 Delta_et -0.2478488E+00 Pxc 0.7445321E+01 Qxc -0.5093080E+01 3,-1 139 3 -1 1.687647 2.728384 0.903110 Rho 0.1480911E+00 |GRAD(Rho)| 0.4175847E-15 GRAD(Rho)x 0.6946687E-16 GRAD(Rho)y -0.3184166E-16 GRAD(Rho)z 0.4105332E-15 Laplacian 0.6062217E+00 (-1/4)Del**2(Rho)) -0.1515554E+00 Diamond 0.1193103E+01 Metallicity 0.4711905E+01 Ellipticity 0.1173671E-01 Gb(Abramov) 0.2200561E+00 Vb(Abramov) -0.2885567E+00 Hb(Abramov) -0.6850064E-01 Ex_ueg -0.5786601E-01 Ec_ueg -0.8321427E-02 Delta_ex -0.6472930E-01 Delta_ec 0.1512893E-01 Delta_et -0.2003526E+00 Pxc 0.6953857E+01 Qxc -0.4278512E+01 3,-1 140 3 -1 2.379753 1.841513 -1.522358 Rho 0.1218130E+00 |GRAD(Rho)| 0.1335361E-13 GRAD(Rho)x 0.6661697E-14 GRAD(Rho)y 0.1157310E-13 GRAD(Rho)z -0.6340550E-16 Laplacian 0.5108021E+00 (-1/4)Del**2(Rho)) -0.1277005E+00 Diamond 0.8000984E+00 Metallicity 0.4038156E+01 Ellipticity 0.1144021E-01 Gb(Abramov) 0.1710794E+00 Vb(Abramov) -0.2144584E+00 Hb(Abramov) -0.4337892E-01 Ex_ueg -0.4459742E-01 Ec_ueg -0.6664391E-02 Delta_ex -0.5207755E-01 Delta_ec 0.1348719E-01 Delta_et -0.1735664E+00 Pxc 0.6691898E+01 Qxc -0.3861260E+01 3,-1 141 3 -1 2.364762 -3.165472 2.289011 Rho 0.2115795E+00 |GRAD(Rho)| 0.7725248E-15 GRAD(Rho)x -0.3005679E-15 GRAD(Rho)y 0.4395085E-15 GRAD(Rho)z -0.5597194E-15 Laplacian 0.7907535E+00 (-1/4)Del**2(Rho)) -0.1976884E+00 Diamond 0.2402911E+01 Metallicity 0.6546782E+01 Ellipticity 0.1919824E-01 Gb(Abramov) 0.3474961E+00 Vb(Abramov) -0.4973037E+00 Hb(Abramov) -0.1498077E+00 Ex_ueg -0.9311431E-01 Ec_ueg -0.1249665E-01 Delta_ex -0.9246554E-01 Delta_ec 0.1811124E-01 Delta_et -0.2492734E+00 Pxc 0.7451141E+01 Qxc -0.5105422E+01 3,-1 142 3 -1 3.669806 -0.834671 -0.780980 Rho 0.1849193E+00 |GRAD(Rho)| 0.5728545E-15 GRAD(Rho)x 0.1610515E-15 GRAD(Rho)y 0.5003593E-16 GRAD(Rho)z 0.5474679E-15 Laplacian 0.6968243E+00 (-1/4)Del**2(Rho)) -0.1742061E+00 Diamond 0.1806268E+01 Metallicity 0.5935539E+01 Ellipticity 0.4700714E-01 Gb(Abramov) 0.2884719E+00 Vb(Abramov) -0.4027377E+00 Hb(Abramov) -0.1142658E+00 Ex_ueg -0.7780867E-01 Ec_ueg -0.1071520E-01 Delta_ex -0.7876797E-01 Delta_ec 0.1662918E-01 Delta_et -0.2266054E+00 Pxc 0.7261522E+01 Qxc -0.4736733E+01 3,-1 143 3 -1 3.639852 -0.800124 0.664416 Rho 0.1699774E+00 |GRAD(Rho)| 0.4119486E-13 GRAD(Rho)x -0.3527126E-13 GRAD(Rho)y -0.1805468E-13 GRAD(Rho)z 0.1126868E-13 Laplacian 0.6422171E+00 (-1/4)Del**2(Rho)) -0.1605543E+00 Diamond 0.1506166E+01 Metallicity 0.5596502E+01 Ellipticity 0.3915195E-01 Gb(Abramov) 0.2567932E+00 Vb(Abramov) -0.3530322E+00 Hb(Abramov) -0.9623895E-01 Ex_ueg -0.6954085E-01 Ec_ueg -0.9734392E-02 Delta_ex -0.7108684E-01 Delta_ec 0.1569423E-01 Delta_et -0.2120353E+00 Pxc 0.7143831E+01 Qxc -0.4529490E+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 63 109 112 92 128 117 141 118 60 52 134 132 76 58 90 127 139 114 107 124 111 110 91 89 116 123 67 140 125 113 106 59 64 53 49 133 80 100 85 99 70 94 137 122 129 130 142 143 131 136 103 84 138 95 69 104 56 83 81 135 73 50 48 78 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 15 16 17 19 23 25 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 19 36 36 36 26 45 45 27 2.349163 1.984654 1.757458 2.179161 1.956736 1.764937 1.767011 2.371197 1.792236 1.894885 2.000155 2.110780 1.771750 2.601610 1.836230 1.897500 1.888957 2.120735 1.761119 2.325750 1.922608 1.752710 2.293491 1.980241 1.760042 2.628157 1.971764 2.017885 1.835989 1.878800 1.755895 2.489164 1.989381 2.026343 1.882918 1.865177 2.315589 1.757332 1.914278 2.093091 2.126937 1.768196 2.695787 1.932147 2.147976 1.819138 1.852929 1.761615 2.336252 1.970991 1.754886 1.766786 2.250743 1.944046 1.770835 3.225099 1.649239 1.768595 1.754626 3.171956 0.997796 1.793968 3.205388 2.350861 1.985284 1.757539 2.179835 1.957348 1.764970 1.767049 2.372825 1.792308 1.895363 2.000689 2.111247 1.771767 2.603589 1.836683 1.898174 1.889626 2.121398 1.761143 2.327258 1.923147 1.752745 2.294043 1.980938 1.760080 2.629585 1.972452 2.018582 1.836406 1.879364 1.755928 2.490775 1.990985 2.027017 1.883492 1.865826 2.317049 1.757501 1.914791 2.093737 2.127575 1.768237 2.697485 1.932812 2.148567 1.819412 1.853460 1.761657 2.337843 1.971572 1.754928 1.766825 2.251271 1.944718 1.770865 3.282857 1.649252 1.768617 1.754668 3.190072 0.997870 1.798871 3.206326 27 26 24 27 27 24 24 31 24 26 25 30 24 34 23 25 27 26 26 27 24 24 28 26 25 31 25 27 25 24 27 32 27 28 26 26 27 24 24 27 27 25 31 26 27 24 23 25 27 24 24 22 26 26 24 35 23 24 24 35 21 26 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 Mo O W Mo Mo Mo Mo O O 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 As O O O O O O O O H 2.1632 -0.8105 2.3141 2.2366 2.1708 2.2091 2.2079 -0.8202 -0.7976 2.1764 2.1808 2.1781 -1.0734 -0.9169 -1.0794 -1.0676 -0.7531 -0.9485 -0.8080 -0.9330 -0.7615 -0.9029 -0.8849 -0.9455 -0.9565 -0.7525 -0.9228 -0.7587 -0.8948 -0.8108 -0.9025 -0.9287 -0.9226 -0.9774 -0.9414 2.1330 -0.8113 -0.9114 -0.9553 -0.9454 -0.8051 -0.8222 -0.8839 -0.8203 0.2568 1.9863 1.9591 2.1390 1.9545 1.9786 1.9765 1.9745 1.9596 1.9608 1.9792 1.9739 1.9894 1.9350 1.9529 1.9337 1.9368 1.9669 1.9374 1.8707 1.9338 1.9656 1.9446 1.9518 1.9376 1.9310 1.9667 1.9371 1.9665 1.9528 1.9588 1.9495 1.9440 1.9462 1.9397 1.9436 0.8928 1.9581 1.9445 1.9423 1.9424 1.9596 1.9598 1.9496 1.9599 0.5888 6.1278 4.8240 6.1254 6.1118 6.1252 6.1120 6.1265 4.8320 4.8077 6.1223 6.1247 6.1199 5.1074 4.9325 5.1140 5.0990 4.7567 4.9864 4.9102 4.9751 4.7662 4.9317 4.9016 4.9827 4.9978 4.7563 4.9608 4.7623 4.9147 4.8246 4.9268 4.9584 4.9509 5.0098 4.9735 1.4221 4.8259 4.9403 4.9860 4.9763 4.8177 4.8340 4.9040 4.8320 0.1544 3.7227 0.0275 3.3921 3.6970 3.7255 3.7024 3.6911 0.0285 0.0291 3.7221 3.7206 3.7126 0.0310 0.0315 0.0316 0.0318 0.0295 0.0247 0.0271 0.0242 0.0296 0.0267 0.0315 0.0251 0.0277 0.0295 0.0250 0.0299 0.0273 0.0275 0.0262 0.0263 0.0255 0.0279 0.0244 10.5520 0.0274 0.0266 0.0270 0.0267 0.0278 0.0284 0.0303 0.0284 0.0000 0.0000 0.0000 14.0294 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 Mo O W Mo Mo Mo Mo O O 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 As O O O O O O O O H 3.146129 -1.091748 2.474525 3.153435 3.140558 3.159650 3.158021 -1.104506 -1.085184 3.145532 3.144453 3.142809 -1.204450 -1.010693 -1.157214 -1.192352 -1.043991 -1.230449 -0.793644 -1.232478 -1.051627 -1.195613 -0.874989 -1.228912 -1.085750 -1.045717 -1.220018 -1.047992 -1.177755 -1.093756 -1.183179 -1.194087 -1.202477 -1.117208 -1.213711 2.268199 -1.095374 -1.192131 -1.215324 -1.131844 -1.086760 -1.106596 -0.943291 -1.102462 0.019970 2.355858 -0.899964 1.933222 2.356650 2.355336 2.354628 2.348355 -0.905491 -0.868315 2.361893 2.351875 2.353825 -0.876444 -0.857141 -0.808633 -0.860246 -0.841015 -0.926345 -0.941236 -0.942957 -0.856250 -0.952942 -0.789104 -0.935644 -0.834624 -0.849301 -0.939295 -0.847972 -0.976869 -0.905853 -0.985319 -0.964874 -0.991614 -0.914221 -1.007279 1.753119 -0.901886 -0.975943 -0.985856 -0.926705 -0.891982 -0.900836 -0.856325 -0.898916 0.292636 2.443688 -0.877459 2.030266 2.445823 2.437879 2.447652 2.468382 -0.877649 -0.861263 2.443075 2.437821 2.443061 -0.919649 -0.772561 -0.857635 -0.917259 -0.849413 -1.012524 -0.985451 -1.052119 -0.865100 -1.023474 -0.844939 -1.023546 -0.932939 -0.866183 -1.020545 -0.858266 -0.984864 -0.888720 -0.994565 -1.010232 -1.002770 -0.983888 -1.049408 1.709242 -0.878630 -1.010177 -1.065853 -0.947597 -0.867821 -0.872232 -0.824106 -0.859550 0.351497 -20.52474674 -14.61755927 0.85219719 25.21238799 32.73637435 58.57559578 -1.32312923 1.32872237 1.24747320 -34.06509672 -265.5097 352.9659 -74.2829 -318.0934 -79.7921 -384.7122 Jun12-2024 07:28:56 Nodes: 1 Procs: 1 Jun12-2024 07:28:58 Nodes: 1 Procs: 1 0 Jun12-2024 07:29:00 Nodes: 1 Procs: 1 Jun12-2024 07:29:02 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 07:29:05 Nodes: 1 Procs: 1 Jun12-2024 07:29:07 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 07:29:10 Nodes: 1 Procs: 1 Jun12-2024 07:29:13 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun12-2024 07:29:17 Nodes: 1 Procs: 1 Jun12-2024 07:29:19 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 07:29:23 Nodes: 1 Procs: 5 *** (NO TITLE) *** -8 -13.98730151 -14.11463373 -14.12934785 -14.13220992 -14.13334521 -14.13395672 -14.13433392 -14.13498236 -14.13554507 -14.13578975 -14.13599980 -14.13624401 -14.13687115 -14.13699390 -14.13734094 -14.13745126 -14.13741864 -14.13750483 -14.13756646 -14.13755555 -14.13767540 -14.13770935 -14.13780538 -14.13784600 -14.13788859 -14.13791232 GEOMETRY CONVERGED