ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar01-2024 10:57:04 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.03 0.40 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 Mar01-2024 10:57:04 Nodes: 1 Procs: 1 Mar01-2024 10:57:04 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar01-2024 10:57:05 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.02 0.66 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000 -139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008 1 Si -0.0000 4.0000 8.0000 0.0000 0.0000 Mar01-2024 10:57:04 Nodes: 1 Procs: 1 Mar01-2024 10:57:04 Nodes: 1 Procs: 1 0 Mar01-2024 10:57:05 Nodes: 1 Procs: 1 Mar01-2024 10:57:05 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar01-2024 10:57:06 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.03 0.81 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Mar01-2024 10:57:04 Nodes: 1 Procs: 1 Mar01-2024 10:57:04 Nodes: 1 Procs: 1 0 Mar01-2024 10:57:05 Nodes: 1 Procs: 1 Mar01-2024 10:57:05 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar01-2024 10:57:06 Nodes: 1 Procs: 1 Mar01-2024 10:57:06 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar01-2024 10:57:07 Hydrogen (TZP) kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.47 0.01 0.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Mar01-2024 10:57:04 Nodes: 1 Procs: 1 Mar01-2024 10:57:04 Nodes: 1 Procs: 1 0 Mar01-2024 10:57:05 Nodes: 1 Procs: 1 Mar01-2024 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3,-3 38 3 -3 0.282136 -2.057936 -3.564900 Rho 0.3190252E+03 3,-3 39 3 -3 1.269405 3.588233 1.368138 Rho 0.3190933E+03 3,-3 40 3 -3 0.751721 -4.599208 -2.455702 Rho 0.3192853E+03 3,-3 41 3 -3 4.734360 -0.702968 -2.431944 Rho 0.3192837E+03 3,-3 42 3 -3 -1.071814 4.328538 2.818537 Rho 0.3193304E+03 3,-3 43 3 -3 4.734360 -0.702968 2.431944 Rho 0.3192837E+03 3,-3 44 3 -3 -0.107234 -0.027563 0.000000 Rho 0.1943380E+04 3,-3 45 3 -3 -1.986765 1.112003 0.948868 Rho 0.3820728E+00 3,-3 46 3 -3 -1.986765 1.112003 -0.948868 Rho 0.3820724E+00 3,-3 47 3 -1 -1.878062 0.869325 -2.420381 Rho 0.1000896E-01 |GRAD(Rho)| 0.3936833E-14 GRAD(Rho)x 0.3239786E-14 GRAD(Rho)y -0.1258271E-14 GRAD(Rho)z -0.1849107E-14 Laplacian 0.3932514E-01 (-1/4)Del**2(Rho)) -0.9831286E-02 Diamond 0.2851366E-02 Metallicity 0.8145629E+00 Ellipticity 0.5201741E-01 Gb(Abramov) 0.7888891E-02 Vb(Abramov) -0.5946496E-02 Hb(Abramov) 0.1942395E-02 Ex_ueg -0.1593078E-02 Ec_ueg -0.3684540E-03 Delta_ex -0.2440408E-02 Delta_ec 0.1576498E-02 Delta_et -0.1041338E-01 Pxc 0.4323683E+01 Qxc -0.1547993E+01 3,-1 48 3 -1 -1.900373 0.795554 -0.665460 Rho 0.8891190E-01 |GRAD(Rho)| 0.2604870E-15 GRAD(Rho)x -0.1633139E-15 GRAD(Rho)y 0.2061504E-16 GRAD(Rho)z -0.2018838E-15 Laplacian 0.1068121E+00 (-1/4)Del**2(Rho)) -0.2670304E-01 Diamond 0.3090689E+00 Metallicity 0.1142683E+02 Ellipticity 0.3168598E-02 Gb(Abramov) 0.6865719E-01 Vb(Abramov) -0.1106113E+00 Hb(Abramov) -0.4195415E-01 Ex_ueg -0.2930881E-01 Ec_ueg -0.4658422E-02 Delta_ex -0.1400752E-01 Delta_ec 0.9977655E-02 Delta_et -0.1278681E+00 Pxc 0.6291576E+01 Qxc -0.1403889E+01 3,-1 49 3 -1 -1.900373 0.795554 0.665460 Rho 0.8891190E-01 |GRAD(Rho)| 0.2152567E-15 GRAD(Rho)x -0.1530275E-15 GRAD(Rho)y 0.1337515E-15 GRAD(Rho)z 0.7091216E-16 Laplacian 0.1068121E+00 (-1/4)Del**2(Rho)) -0.2670304E-01 Diamond 0.3090689E+00 Metallicity 0.1142683E+02 Ellipticity 0.3168598E-02 Gb(Abramov) 0.6865719E-01 Vb(Abramov) -0.1106113E+00 Hb(Abramov) -0.4195415E-01 Ex_ueg -0.2930881E-01 Ec_ueg -0.4658422E-02 Delta_ex -0.1400752E-01 Delta_ec 0.9977655E-02 Delta_et -0.1278681E+00 Pxc 0.6291576E+01 Qxc -0.1403889E+01 3,-1 50 3 -1 -1.878062 0.869325 2.420381 Rho 0.1000896E-01 |GRAD(Rho)| 0.1591902E-16 GRAD(Rho)x -0.1588377E-16 GRAD(Rho)y 0.1056303E-17 GRAD(Rho)z -0.7199780E-19 Laplacian 0.3932514E-01 (-1/4)Del**2(Rho)) -0.9831286E-02 Diamond 0.2851366E-02 Metallicity 0.8145629E+00 Ellipticity 0.5201741E-01 Gb(Abramov) 0.7888891E-02 Vb(Abramov) -0.5946496E-02 Hb(Abramov) 0.1942395E-02 Ex_ueg -0.1593078E-02 Ec_ueg -0.3684540E-03 Delta_ex -0.2440408E-02 Delta_ec 0.1576498E-02 Delta_et -0.1041338E-01 Pxc 0.4323683E+01 Qxc -0.1547993E+01 3,-1 51 3 -1 -2.009734 1.317361 -1.078888 Rho 0.2523185E+00 |GRAD(Rho)| 0.3583263E-15 GRAD(Rho)x 0.1771838E-15 GRAD(Rho)y 0.1628961E-16 GRAD(Rho)z -0.3110277E-15 Laplacian -0.9950757E+00 (-1/4)Del**2(Rho)) 0.2487689E+00 Diamond 0.3221083E+01 Metallicity -0.6977058E+01 Ellipticity 0.7042846E-03 Gb(Abramov) 0.1234333E+00 Vb(Abramov) -0.4956354E+00 Hb(Abramov) -0.3722022E+00 Ex_ueg -0.1177562E+00 Ec_ueg -0.1529481E-01 Delta_ex 0.8716079E-01 Delta_ec 0.4021229E-01 Delta_et -0.8488137E+00 Pxc 0.7699097E+01 Qxc 0.2167516E+01 3,-1 52 3 -1 -2.009734 1.317361 1.078888 Rho 0.2523185E+00 |GRAD(Rho)| 0.7071228E-15 GRAD(Rho)x 0.1283520E-15 GRAD(Rho)y 0.6950264E-15 GRAD(Rho)z 0.2206203E-16 Laplacian -0.9950757E+00 (-1/4)Del**2(Rho)) 0.2487689E+00 Diamond 0.3221083E+01 Metallicity -0.6977058E+01 Ellipticity 0.7042846E-03 Gb(Abramov) 0.1234333E+00 Vb(Abramov) -0.4956354E+00 Hb(Abramov) -0.3722022E+00 Ex_ueg -0.1177562E+00 Ec_ueg -0.1529481E-01 Delta_ex 0.8716079E-01 Delta_ec 0.4021229E-01 Delta_et -0.8488137E+00 Pxc 0.7699097E+01 Qxc 0.2167516E+01 3,-1 53 3 +3 -0.974320 0.527578 1.781419 Rho 0.4669549E-02 |GRAD(Rho)| 0.5617713E-12 GRAD(Rho)x -0.2535406E-12 GRAD(Rho)y 0.1612531E-12 GRAD(Rho)z -0.4746594E-12 Laplacian 0.1851315E-01 (-1/4)Del**2(Rho)) -0.4628286E-02 Diamond 0.1501386E-03 Metallicity 0.4855767E+00 Ellipticity -0.6963363E+00 Gb(Abramov) 0.3460089E-02 Vb(Abramov) -0.2291891E-02 Hb(Abramov) 0.1168197E-02 Ex_ueg -0.5764367E-03 Ec_ueg -0.1327200E-03 Delta_ex -0.6605809E-03 Delta_ec 0.1404071E-03 Delta_et -0.9271906E-03 Pxc 0.4343255E+01 Qxc -0.4704754E+01 3,+3 54 3 +1 -1.387287 1.065221 2.528600 Rho 0.8511041E-02 |GRAD(Rho)| 0.5975345E-16 GRAD(Rho)x -0.2030370E-16 GRAD(Rho)y -0.5205480E-16 GRAD(Rho)z 0.2117858E-16 Laplacian 0.3769154E-01 (-1/4)Del**2(Rho)) -0.9422885E-02 Diamond 0.1181735E-02 Metallicity 0.6486450E+00 Ellipticity -0.1491202E+01 Gb(Abramov) 0.7300608E-02 Vb(Abramov) -0.5178331E-02 Hb(Abramov) 0.2122277E-02 Ex_ueg -0.1283400E-02 Ec_ueg -0.3010016E-03 Delta_ex -0.1802923E-02 Delta_ec 0.6831249E-03 Delta_et -0.4532170E-02 Pxc 0.4263764E+01 Qxc -0.2639229E+01 3,+1 55 3 +1 -1.387287 1.065221 -2.528600 Rho 0.8511041E-02 |GRAD(Rho)| 0.6750976E-12 GRAD(Rho)x -0.4260539E-12 GRAD(Rho)y 0.3772561E-12 GRAD(Rho)z 0.3631980E-12 Laplacian 0.3769154E-01 (-1/4)Del**2(Rho)) -0.9422885E-02 Diamond 0.1181735E-02 Metallicity 0.6486450E+00 Ellipticity -0.1491202E+01 Gb(Abramov) 0.7300608E-02 Vb(Abramov) -0.5178331E-02 Hb(Abramov) 0.2122277E-02 Ex_ueg -0.1283400E-02 Ec_ueg -0.3010016E-03 Delta_ex -0.1802923E-02 Delta_ec 0.6831249E-03 Delta_et -0.4532170E-02 Pxc 0.4263764E+01 Qxc -0.2639229E+01 3,+1 56 3 +1 -0.973971 1.417639 -0.664684 Rho 0.1421786E-01 |GRAD(Rho)| 0.6035265E-16 GRAD(Rho)x -0.4465897E-16 GRAD(Rho)y -0.3739396E-16 GRAD(Rho)z 0.1580225E-16 Laplacian 0.6011384E-01 (-1/4)Del**2(Rho)) -0.1502846E-01 Diamond 0.3305514E-02 Metallicity 0.9565237E+00 Ellipticity -0.1635116E+01 Gb(Abramov) 0.1241482E-01 Vb(Abramov) -0.9801179E-02 Hb(Abramov) 0.2613640E-02 Ex_ueg -0.2543884E-02 Ec_ueg -0.5628973E-03 Delta_ex -0.3152050E-02 Delta_ec 0.8893698E-03 Delta_et -0.6873273E-02 Pxc 0.4519269E+01 Qxc -0.3544139E+01 3,+1 57 3 +1 0.173089 0.912161 -1.564496 Rho 0.8297820E-02 |GRAD(Rho)| 0.6402142E-13 GRAD(Rho)x 0.5685185E-14 GRAD(Rho)y 0.2782997E-13 GRAD(Rho)z 0.5737520E-13 Laplacian 0.3270482E-01 (-1/4)Del**2(Rho)) -0.8176205E-02 Diamond 0.8158994E-03 Metallicity 0.7165965E+00 Ellipticity -0.1397543E+01 Gb(Abramov) 0.6427310E-02 Vb(Abramov) -0.4678415E-02 Hb(Abramov) 0.1748895E-02 Ex_ueg -0.1240710E-02 Ec_ueg -0.2914801E-03 Delta_ex -0.1472277E-02 Delta_ec 0.4452830E-03 Delta_et -0.3027851E-02 Pxc 0.4256587E+01 Qxc -0.3306386E+01 3,+1 58 3 +1 0.173089 0.912161 1.564496 Rho 0.8297820E-02 |GRAD(Rho)| 0.2308786E-12 GRAD(Rho)x 0.1810912E-12 GRAD(Rho)y 0.6182433E-13 GRAD(Rho)z -0.1291846E-12 Laplacian 0.3270482E-01 (-1/4)Del**2(Rho)) -0.8176205E-02 Diamond 0.8158994E-03 Metallicity 0.7165965E+00 Ellipticity -0.1397543E+01 Gb(Abramov) 0.6427310E-02 Vb(Abramov) -0.4678415E-02 Hb(Abramov) 0.1748895E-02 Ex_ueg -0.1240710E-02 Ec_ueg -0.2914801E-03 Delta_ex -0.1472277E-02 Delta_ec 0.4452830E-03 Delta_et -0.3027851E-02 Pxc 0.4256587E+01 Qxc -0.3306386E+01 3,+1 59 3 +1 -0.973971 1.417639 0.664684 Rho 0.1421786E-01 |GRAD(Rho)| 0.5459472E-15 GRAD(Rho)x -0.2694920E-15 GRAD(Rho)y -0.4516956E-15 GRAD(Rho)z -0.1462995E-15 Laplacian 0.6011384E-01 (-1/4)Del**2(Rho)) -0.1502846E-01 Diamond 0.3305514E-02 Metallicity 0.9565237E+00 Ellipticity -0.1635116E+01 Gb(Abramov) 0.1241482E-01 Vb(Abramov) -0.9801179E-02 Hb(Abramov) 0.2613640E-02 Ex_ueg -0.2543884E-02 Ec_ueg -0.5628973E-03 Delta_ex -0.3152050E-02 Delta_ec 0.8893698E-03 Delta_et -0.6873273E-02 Pxc 0.4519269E+01 Qxc -0.3544139E+01 3,+1 60 3 +3 -0.974320 0.527578 -1.781419 Rho 0.4669549E-02 |GRAD(Rho)| 0.4584088E-15 GRAD(Rho)x 0.4057627E-15 GRAD(Rho)y -0.4246007E-16 GRAD(Rho)z -0.2090274E-15 Laplacian 0.1851315E-01 (-1/4)Del**2(Rho)) -0.4628286E-02 Diamond 0.1501386E-03 Metallicity 0.4855767E+00 Ellipticity -0.6963363E+00 Gb(Abramov) 0.3460089E-02 Vb(Abramov) -0.2291891E-02 Hb(Abramov) 0.1168197E-02 Ex_ueg -0.5764367E-03 Ec_ueg -0.1327200E-03 Delta_ex -0.6605809E-03 Delta_ec 0.1404071E-03 Delta_et -0.9271906E-03 Pxc 0.4343255E+01 Qxc -0.4704754E+01 3,+3 61 3 -1 -0.621253 -3.052630 1.738014 Rho 0.2174767E+00 |GRAD(Rho)| 0.2567430E-15 GRAD(Rho)x 0.2488786E-15 GRAD(Rho)y -0.4988685E-16 GRAD(Rho)z 0.3857049E-16 Laplacian 0.8190167E+00 (-1/4)Del**2(Rho)) -0.2047542E+00 Diamond 0.2566705E+01 Metallicity 0.6617212E+01 Ellipticity 0.6052546E-02 Gb(Abramov) 0.3623197E+00 Vb(Abramov) -0.5198853E+00 Hb(Abramov) -0.1575656E+00 Ex_ueg -0.9659073E-01 Ec_ueg -0.1289606E-01 Delta_ex -0.9641670E-01 Delta_ec 0.1855141E-01 Delta_et -0.2555291E+00 Pxc 0.7489943E+01 Qxc -0.5197272E+01 3,-1 62 3 -1 -0.621253 -3.052630 -1.738014 Rho 0.2174767E+00 |GRAD(Rho)| 0.1653175E-13 GRAD(Rho)x 0.5285377E-14 GRAD(Rho)y 0.1510234E-13 GRAD(Rho)z 0.4157278E-14 Laplacian 0.8190167E+00 (-1/4)Del**2(Rho)) -0.2047542E+00 Diamond 0.2566705E+01 Metallicity 0.6617212E+01 Ellipticity 0.6052546E-02 Gb(Abramov) 0.3623197E+00 Vb(Abramov) -0.5198853E+00 Hb(Abramov) -0.1575656E+00 Ex_ueg -0.9659073E-01 Ec_ueg -0.1289606E-01 Delta_ex -0.9641670E-01 Delta_ec 0.1855141E-01 Delta_et -0.2555291E+00 Pxc 0.7489943E+01 Qxc -0.5197272E+01 3,-1 63 3 -1 1.752668 -0.735250 -1.637058 Rho 0.3008955E-01 |GRAD(Rho)| 0.3526580E-13 GRAD(Rho)x -0.3412322E-13 GRAD(Rho)y 0.8091321E-16 GRAD(Rho)z 0.8903703E-14 Laplacian 0.1131897E+00 (-1/4)Del**2(Rho)) -0.2829742E-01 Diamond 0.2833273E-01 Metallicity 0.1772145E+01 Ellipticity 0.5705066E-01 Gb(Abramov) 0.2722280E-01 Vb(Abramov) -0.2614818E-01 Hb(Abramov) 0.1074618E-02 Ex_ueg -0.6912036E-02 Ec_ueg -0.1348227E-02 Delta_ex -0.8181565E-02 Delta_ec 0.3317718E-02 Delta_et -0.3050051E-01 Pxc 0.5126759E+01 Qxc -0.2466022E+01 3,-1 64 3 -1 1.752668 -0.735250 1.637058 Rho 0.3008955E-01 |GRAD(Rho)| 0.3516381E-13 GRAD(Rho)x -0.3402543E-13 GRAD(Rho)y 0.7818612E-16 GRAD(Rho)z -0.8874543E-14 Laplacian 0.1131897E+00 (-1/4)Del**2(Rho)) -0.2829742E-01 Diamond 0.2833273E-01 Metallicity 0.1772145E+01 Ellipticity 0.5705066E-01 Gb(Abramov) 0.2722280E-01 Vb(Abramov) -0.2614818E-01 Hb(Abramov) 0.1074618E-02 Ex_ueg -0.6912036E-02 Ec_ueg -0.1348227E-02 Delta_ex -0.8181565E-02 Delta_ec 0.3317718E-02 Delta_et -0.3050051E-01 Pxc 0.5126759E+01 Qxc -0.2466022E+01 3,-1 65 3 +1 1.613356 -0.654091 0.000000 Rho 0.7233710E-02 |GRAD(Rho)| 0.5595214E-17 GRAD(Rho)x -0.5587698E-17 GRAD(Rho)y -0.2572631E-18 GRAD(Rho)z -0.1336757E-18 Laplacian 0.2784187E-01 (-1/4)Del**2(Rho)) -0.6960468E-02 Diamond 0.6403061E-03 Metallicity 0.6696531E+00 Ellipticity -0.1486300E+01 Gb(Abramov) 0.5417162E-02 Vb(Abramov) -0.3873855E-02 Hb(Abramov) 0.1543306E-02 Ex_ueg -0.1033237E-02 Ec_ueg -0.2442696E-03 Delta_ex -0.1247106E-02 Delta_ec 0.4440220E-03 Delta_et -0.2857645E-02 Pxc 0.4229902E+01 Qxc -0.2808659E+01 3,+1 66 3 +1 1.451341 -1.702565 -1.737544 Rho 0.1989007E-01 |GRAD(Rho)| 0.3480639E-16 GRAD(Rho)x -0.1481206E-16 GRAD(Rho)y 0.3006522E-16 GRAD(Rho)z 0.9389905E-17 Laplacian 0.7146187E-01 (-1/4)Del**2(Rho)) -0.1786547E-01 Diamond 0.6657628E-02 Metallicity 0.1407989E+01 Ellipticity -0.3172056E+01 Gb(Abramov) 0.1610271E-01 Vb(Abramov) -0.1433995E-01 Hb(Abramov) 0.1762758E-02 Ex_ueg -0.3980156E-02 Ec_ueg -0.8350493E-03 Delta_ex -0.4158583E-02 Delta_ec 0.1168712E-02 Delta_et -0.9762656E-02 Pxc 0.4766373E+01 Qxc -0.3558262E+01 3,+1 67 3 +1 1.451341 -1.702565 1.737544 Rho 0.1989007E-01 |GRAD(Rho)| 0.3586713E-16 GRAD(Rho)x 0.3168594E-16 GRAD(Rho)y 0.1613723E-16 GRAD(Rho)z 0.4694917E-17 Laplacian 0.7146187E-01 (-1/4)Del**2(Rho)) -0.1786547E-01 Diamond 0.6657628E-02 Metallicity 0.1407989E+01 Ellipticity -0.3172056E+01 Gb(Abramov) 0.1610271E-01 Vb(Abramov) -0.1433995E-01 Hb(Abramov) 0.1762758E-02 Ex_ueg -0.3980156E-02 Ec_ueg -0.8350493E-03 Delta_ex -0.4158583E-02 Delta_ec 0.1168712E-02 Delta_et -0.9762656E-02 Pxc 0.4766373E+01 Qxc -0.3558262E+01 3,+1 68 3 -1 0.407424 -1.837230 1.591901 Rho 0.5797616E-01 |GRAD(Rho)| 0.6999312E-16 GRAD(Rho)x 0.8381391E-18 GRAD(Rho)y 0.6840807E-16 GRAD(Rho)z -0.1478750E-16 Laplacian 0.2192975E+00 (-1/4)Del**2(Rho)) -0.5482437E-01 Diamond 0.1353127E+00 Metallicity 0.2728948E+01 Ellipticity 0.1266869E-01 Gb(Abramov) 0.6148506E-01 Vb(Abramov) -0.6814575E-01 Hb(Abramov) -0.6660689E-02 Ex_ueg -0.1657236E-01 Ec_ueg -0.2860291E-02 Delta_ex -0.1871768E-01 Delta_ec 0.6486846E-02 Delta_et -0.7104747E-01 Pxc 0.5793943E+01 Qxc -0.2885482E+01 3,-1 69 3 -1 0.295340 -2.480999 2.751541 Rho 0.1374169E+00 |GRAD(Rho)| 0.4492905E-15 GRAD(Rho)x 0.2334846E-17 GRAD(Rho)y 0.6917887E-16 GRAD(Rho)z 0.4439266E-15 Laplacian 0.5193054E+00 (-1/4)Del**2(Rho)) -0.1298263E+00 Diamond 0.9539103E+00 Metallicity 0.4855763E+01 Ellipticity 0.5690687E-01 Gb(Abramov) 0.1916186E+00 Vb(Abramov) -0.2534108E+00 Hb(Abramov) -0.6179221E-01 Ex_ueg -0.5237276E-01 Ec_ueg -0.7642950E-02 Delta_ex -0.5466174E-01 Delta_ec 0.1359549E-01 Delta_et -0.1789452E+00 Pxc 0.6852428E+01 Qxc -0.4020578E+01 3,-1 70 3 -1 0.295340 -2.480999 -2.751541 Rho 0.1374169E+00 |GRAD(Rho)| 0.1034500E-15 GRAD(Rho)x 0.7721658E-17 GRAD(Rho)y -0.7137438E-16 GRAD(Rho)z 0.7448469E-16 Laplacian 0.5193054E+00 (-1/4)Del**2(Rho)) -0.1298263E+00 Diamond 0.9539103E+00 Metallicity 0.4855763E+01 Ellipticity 0.5690687E-01 Gb(Abramov) 0.1916186E+00 Vb(Abramov) -0.2534108E+00 Hb(Abramov) -0.6179221E-01 Ex_ueg -0.5237276E-01 Ec_ueg -0.7642950E-02 Delta_ex -0.5466174E-01 Delta_ec 0.1359549E-01 Delta_et -0.1789452E+00 Pxc 0.6852428E+01 Qxc -0.4020578E+01 3,-1 71 3 -1 0.407424 -1.837230 -1.591901 Rho 0.5797616E-01 |GRAD(Rho)| 0.2907919E-16 GRAD(Rho)x -0.6610775E-17 GRAD(Rho)y -0.6358676E-17 GRAD(Rho)z -0.2759464E-16 Laplacian 0.2192975E+00 (-1/4)Del**2(Rho)) -0.5482437E-01 Diamond 0.1353127E+00 Metallicity 0.2728948E+01 Ellipticity 0.1266869E-01 Gb(Abramov) 0.6148506E-01 Vb(Abramov) -0.6814575E-01 Hb(Abramov) -0.6660689E-02 Ex_ueg -0.1657236E-01 Ec_ueg -0.2860291E-02 Delta_ex -0.1871768E-01 Delta_ec 0.6486846E-02 Delta_et -0.7104747E-01 Pxc 0.5793943E+01 Qxc -0.2885482E+01 3,-1 72 3 +1 0.316175 -1.222234 2.541399 Rho 0.2868698E-01 |GRAD(Rho)| 0.6106889E-15 GRAD(Rho)x -0.6058315E-15 GRAD(Rho)y -0.2334065E-16 GRAD(Rho)z 0.7324111E-16 Laplacian 0.1124362E+00 (-1/4)Del**2(Rho)) -0.2810906E-01 Diamond 0.1673857E-01 Metallicity 0.1647586E+01 Ellipticity -0.3423734E+01 Gb(Abramov) 0.2645806E-01 Vb(Abramov) -0.2480706E-01 Hb(Abramov) 0.1651002E-02 Ex_ueg -0.6485819E-02 Ec_ueg -0.1276081E-02 Delta_ex -0.7162277E-02 Delta_ec 0.1740943E-02 Delta_et -0.1590855E-01 Pxc 0.5082608E+01 Qxc -0.4114022E+01 3,+1 73 3 +1 0.316175 -1.222234 -2.541399 Rho 0.2868698E-01 |GRAD(Rho)| 0.6063040E-15 GRAD(Rho)x -0.6045664E-15 GRAD(Rho)y -0.8313729E-17 GRAD(Rho)z -0.4510946E-16 Laplacian 0.1124362E+00 (-1/4)Del**2(Rho)) -0.2810906E-01 Diamond 0.1673857E-01 Metallicity 0.1647586E+01 Ellipticity -0.3423734E+01 Gb(Abramov) 0.2645806E-01 Vb(Abramov) -0.2480706E-01 Hb(Abramov) 0.1651002E-02 Ex_ueg -0.6485819E-02 Ec_ueg -0.1276081E-02 Delta_ex -0.7162277E-02 Delta_ec 0.1740943E-02 Delta_et -0.1590855E-01 Pxc 0.5082608E+01 Qxc -0.4114022E+01 3,+1 74 3 +1 1.501991 0.594659 -0.945460 Rho 0.6714236E-02 |GRAD(Rho)| 0.1002622E-16 GRAD(Rho)x -0.9278263E-18 GRAD(Rho)y -0.9420779E-17 GRAD(Rho)z -0.3303501E-17 Laplacian 0.2602537E-01 (-1/4)Del**2(Rho)) -0.6506343E-02 Diamond 0.5258414E-03 Metallicity 0.6327185E+00 Ellipticity -0.1413362E+01 Gb(Abramov) 0.5023676E-02 Vb(Abramov) -0.3541009E-02 Hb(Abramov) 0.1482667E-02 Ex_ueg -0.9355073E-03 Ec_ueg -0.2214132E-03 Delta_ex -0.1135397E-02 Delta_ec 0.3981235E-03 Delta_et -0.2524480E-02 Pxc 0.4225165E+01 Qxc -0.2851871E+01 3,+1 75 3 +1 1.501991 0.594659 0.945460 Rho 0.6714236E-02 |GRAD(Rho)| 0.5071612E-17 GRAD(Rho)x -0.4551148E-17 GRAD(Rho)y -0.1843731E-17 GRAD(Rho)z -0.1268448E-17 Laplacian 0.2602537E-01 (-1/4)Del**2(Rho)) -0.6506343E-02 Diamond 0.5258414E-03 Metallicity 0.6327185E+00 Ellipticity -0.1413362E+01 Gb(Abramov) 0.5023676E-02 Vb(Abramov) -0.3541009E-02 Hb(Abramov) 0.1482667E-02 Ex_ueg -0.9355073E-03 Ec_ueg -0.2214132E-03 Delta_ex -0.1135397E-02 Delta_ec 0.3981235E-03 Delta_et -0.2524480E-02 Pxc 0.4225165E+01 Qxc -0.2851871E+01 3,+1 76 3 +1 0.489269 -1.670532 -0.000000 Rho 0.1031378E-01 |GRAD(Rho)| 0.7423681E-16 GRAD(Rho)x -0.3741693E-16 GRAD(Rho)y 0.4554582E-16 GRAD(Rho)z -0.4512931E-16 Laplacian 0.4255172E-01 (-1/4)Del**2(Rho)) -0.1063793E-01 Diamond 0.1414132E-02 Metallicity 0.7913936E+00 Ellipticity -0.1423994E+01 Gb(Abramov) 0.8495085E-02 Vb(Abramov) -0.6352240E-02 Hb(Abramov) 0.2142845E-02 Ex_ueg -0.1658093E-02 Ec_ueg -0.3822977E-03 Delta_ex -0.2020260E-02 Delta_ec 0.5703012E-03 Delta_et -0.4104921E-02 Pxc 0.4337178E+01 Qxc -0.3542443E+01 3,+1 77 3 +1 1.542981 -1.513265 -2.874440 Rho 0.1118757E-01 |GRAD(Rho)| 0.1506019E-16 GRAD(Rho)x -0.2319562E-17 GRAD(Rho)y -0.1418647E-16 GRAD(Rho)z 0.4491459E-17 Laplacian 0.4890955E-01 (-1/4)Del**2(Rho)) -0.1222739E-01 Diamond 0.1534432E-02 Metallicity 0.7884588E+00 Ellipticity -0.1213464E+01 Gb(Abramov) 0.9758391E-02 Vb(Abramov) -0.7289393E-02 Hb(Abramov) 0.2468997E-02 Ex_ueg -0.1847989E-02 Ec_ueg -0.4221954E-03 Delta_ex -0.2282193E-02 Delta_ec 0.4955836E-03 Delta_et -0.3763526E-02 Pxc 0.4377094E+01 Qxc -0.4605062E+01 3,+1 78 3 +3 1.412902 -1.406047 -2.659276 Rho 0.1097206E-01 |GRAD(Rho)| 0.4383969E-16 GRAD(Rho)x 0.2486548E-16 GRAD(Rho)y 0.3006954E-16 GRAD(Rho)z 0.1998624E-16 Laplacian 0.4725976E-01 (-1/4)Del**2(Rho)) -0.1181494E-01 Diamond 0.9730063E-03 Metallicity 0.7899549E+00 Ellipticity -0.5984635E+00 Gb(Abramov) 0.9432171E-02 Vb(Abramov) -0.7049403E-02 Hb(Abramov) 0.2382768E-02 Ex_ueg -0.1800679E-02 Ec_ueg -0.4123263E-03 Delta_ex -0.2040399E-02 Delta_ec 0.2053153E-03 Delta_et -0.1833856E-02 Pxc 0.4367120E+01 Qxc -0.9937878E+01 3,+3 79 3 +1 1.542981 -1.513265 2.874440 Rho 0.1118757E-01 |GRAD(Rho)| 0.1430808E-13 GRAD(Rho)x 0.2642555E-14 GRAD(Rho)y -0.1304147E-13 GRAD(Rho)z -0.5259102E-14 Laplacian 0.4890955E-01 (-1/4)Del**2(Rho)) -0.1222739E-01 Diamond 0.1534432E-02 Metallicity 0.7884588E+00 Ellipticity -0.1213464E+01 Gb(Abramov) 0.9758391E-02 Vb(Abramov) -0.7289393E-02 Hb(Abramov) 0.2468997E-02 Ex_ueg -0.1847989E-02 Ec_ueg -0.4221954E-03 Delta_ex -0.2282193E-02 Delta_ec 0.4955836E-03 Delta_et -0.3763526E-02 Pxc 0.4377094E+01 Qxc -0.4605062E+01 3,+1 80 3 +3 1.412902 -1.406047 2.659276 Rho 0.1097206E-01 |GRAD(Rho)| 0.2249861E-16 GRAD(Rho)x 0.7408642E-17 GRAD(Rho)y 0.2029584E-16 GRAD(Rho)z -0.6275196E-17 Laplacian 0.4725976E-01 (-1/4)Del**2(Rho)) -0.1181494E-01 Diamond 0.9730063E-03 Metallicity 0.7899549E+00 Ellipticity -0.5984635E+00 Gb(Abramov) 0.9432171E-02 Vb(Abramov) -0.7049403E-02 Hb(Abramov) 0.2382768E-02 Ex_ueg -0.1800679E-02 Ec_ueg -0.4123263E-03 Delta_ex -0.2040399E-02 Delta_ec 0.2053153E-03 Delta_et -0.1833856E-02 Pxc 0.4367120E+01 Qxc -0.9937878E+01 3,+3 81 3 +3 1.202503 1.003583 1.691723 Rho 0.4166586E-02 |GRAD(Rho)| 0.5059562E-17 GRAD(Rho)x -0.2821679E-17 GRAD(Rho)y -0.1765791E-17 GRAD(Rho)z -0.3810417E-17 Laplacian 0.1719356E-01 (-1/4)Del**2(Rho)) -0.4298390E-02 Diamond 0.1269048E-03 Metallicity 0.4323957E+00 Ellipticity -0.4501355E+00 Gb(Abramov) 0.3175361E-02 Vb(Abramov) -0.2052332E-02 Hb(Abramov) 0.1123029E-02 Ex_ueg -0.4951752E-03 Ec_ueg -0.1112258E-03 Delta_ex -0.6043506E-03 Delta_ec 0.1462098E-03 Delta_et -0.9139981E-03 Pxc 0.4451981E+01 Qxc -0.4133448E+01 3,+3 82 3 +3 1.202503 1.003583 -1.691723 Rho 0.4166586E-02 |GRAD(Rho)| 0.1617381E-17 GRAD(Rho)x 0.1565264E-17 GRAD(Rho)y 0.8241035E-19 GRAD(Rho)z 0.3988466E-18 Laplacian 0.1719356E-01 (-1/4)Del**2(Rho)) -0.4298390E-02 Diamond 0.1269048E-03 Metallicity 0.4323957E+00 Ellipticity -0.4501355E+00 Gb(Abramov) 0.3175361E-02 Vb(Abramov) -0.2052332E-02 Hb(Abramov) 0.1123029E-02 Ex_ueg -0.4951752E-03 Ec_ueg -0.1112258E-03 Delta_ex -0.6043506E-03 Delta_ec 0.1462098E-03 Delta_et -0.9139981E-03 Pxc 0.4451981E+01 Qxc -0.4133448E+01 3,+3 83 3 +1 1.248200 -0.421499 -2.448148 Rho 0.2165946E-01 |GRAD(Rho)| 0.4383042E-16 GRAD(Rho)x -0.4201898E-16 GRAD(Rho)y -0.8961836E-17 GRAD(Rho)z 0.8671589E-17 Laplacian 0.8208175E-01 (-1/4)Del**2(Rho)) -0.2052044E-01 Diamond 0.9398812E-02 Metallicity 0.1412904E+01 Ellipticity -0.4957114E+01 Gb(Abramov) 0.1851253E-01 Vb(Abramov) -0.1650462E-01 Hb(Abramov) 0.2007911E-02 Ex_ueg -0.4459114E-02 Ec_ueg -0.9220405E-03 Delta_ex -0.4991110E-02 Delta_ec 0.1530424E-02 Delta_et -0.1299385E-01 Pxc 0.4836137E+01 Qxc -0.3261259E+01 3,+1 84 3 +1 1.248200 -0.421499 2.448148 Rho 0.2165946E-01 |GRAD(Rho)| 0.1162570E-16 GRAD(Rho)x 0.7729796E-17 GRAD(Rho)y -0.4204128E-17 GRAD(Rho)z -0.7598191E-17 Laplacian 0.8208175E-01 (-1/4)Del**2(Rho)) -0.2052044E-01 Diamond 0.9398812E-02 Metallicity 0.1412904E+01 Ellipticity -0.4957114E+01 Gb(Abramov) 0.1851253E-01 Vb(Abramov) -0.1650462E-01 Hb(Abramov) 0.2007911E-02 Ex_ueg -0.4459114E-02 Ec_ueg -0.9220405E-03 Delta_ex -0.4991110E-02 Delta_ec 0.1530424E-02 Delta_et -0.1299385E-01 Pxc 0.4836137E+01 Qxc -0.3261259E+01 3,+1 85 3 -1 1.817035 3.055629 -0.708138 Rho 0.9018889E-01 |GRAD(Rho)| 0.8620216E-15 GRAD(Rho)x -0.4378483E-15 GRAD(Rho)y 0.3888423E-15 GRAD(Rho)z -0.6325913E-15 Laplacian 0.3525563E+00 (-1/4)Del**2(Rho)) -0.8813909E-01 Diamond 0.3858439E+00 Metallicity 0.3545191E+01 Ellipticity 0.3672194E-01 Gb(Abramov) 0.1108377E+00 Vb(Abramov) -0.1335363E+00 Hb(Abramov) -0.2269862E-01 Ex_ueg -0.2987141E-01 Ec_ueg -0.4734667E-02 Delta_ex -0.3352266E-01 Delta_ec 0.1001070E-01 Delta_et -0.1217076E+00 Pxc 0.6309085E+01 Qxc -0.3348682E+01 3,-1 86 3 -1 1.817035 3.055629 0.708138 Rho 0.9018889E-01 |GRAD(Rho)| 0.1887192E-13 GRAD(Rho)x 0.1368380E-13 GRAD(Rho)y 0.1187991E-13 GRAD(Rho)z 0.5269802E-14 Laplacian 0.3525563E+00 (-1/4)Del**2(Rho)) -0.8813909E-01 Diamond 0.3858439E+00 Metallicity 0.3545191E+01 Ellipticity 0.3672194E-01 Gb(Abramov) 0.1108377E+00 Vb(Abramov) -0.1335363E+00 Hb(Abramov) -0.2269862E-01 Ex_ueg -0.2987141E-01 Ec_ueg -0.4734667E-02 Delta_ex -0.3352266E-01 Delta_ec 0.1001070E-01 Delta_et -0.1217076E+00 Pxc 0.6309085E+01 Qxc -0.3348682E+01 3,-1 87 3 -1 2.690433 1.882993 -0.711949 Rho 0.1791318E+00 |GRAD(Rho)| 0.3543471E-13 GRAD(Rho)x 0.1817363E-13 GRAD(Rho)y 0.2877296E-13 GRAD(Rho)z 0.9871905E-14 Laplacian 0.7241381E+00 (-1/4)Del**2(Rho)) -0.1810345E+00 Diamond 0.1786594E+01 Metallicity 0.5416845E+01 Ellipticity 0.3605645E-01 Gb(Abramov) 0.2841290E+00 Vb(Abramov) -0.3872235E+00 Hb(Abramov) -0.1030945E+00 Ex_ueg -0.7457880E-01 Ec_ueg -0.1033378E-01 Delta_ex -0.8104288E-01 Delta_ec 0.1714466E-01 Delta_et -0.2320397E+00 Pxc 0.7216993E+01 Qxc -0.4727003E+01 3,-1 88 3 +1 2.988591 0.619244 0.000000 Rho 0.1244809E-01 |GRAD(Rho)| 0.8037964E-17 GRAD(Rho)x 0.2063609E-17 GRAD(Rho)y -0.6998462E-17 GRAD(Rho)z 0.3372226E-17 Laplacian 0.5826485E-01 (-1/4)Del**2(Rho)) -0.1456621E-01 Diamond 0.2437869E-02 Metallicity 0.7907590E+00 Ellipticity -0.1338182E+01 Gb(Abramov) 0.1163054E-01 Vb(Abramov) -0.8694859E-02 Hb(Abramov) 0.2935677E-02 Ex_ueg -0.2130698E-02 Ec_ueg -0.4802935E-03 Delta_ex -0.2887103E-02 Delta_ec 0.7478130E-03 Delta_et -0.5664140E-02 Pxc 0.4436241E+01 Qxc -0.3860728E+01 3,+1 89 3 -1 2.690433 1.882993 0.711949 Rho 0.1791318E+00 |GRAD(Rho)| 0.3563595E-13 GRAD(Rho)x 0.1823810E-13 GRAD(Rho)y 0.2893405E-13 GRAD(Rho)z -0.1000567E-13 Laplacian 0.7241381E+00 (-1/4)Del**2(Rho)) -0.1810345E+00 Diamond 0.1786594E+01 Metallicity 0.5416845E+01 Ellipticity 0.3605645E-01 Gb(Abramov) 0.2841290E+00 Vb(Abramov) -0.3872235E+00 Hb(Abramov) -0.1030945E+00 Ex_ueg -0.7457880E-01 Ec_ueg -0.1033378E-01 Delta_ex -0.8104288E-01 Delta_ec 0.1714466E-01 Delta_et -0.2320397E+00 Pxc 0.7216993E+01 Qxc -0.4727003E+01 3,-1 90 3 +1 1.451086 1.720956 -1.991706 Rho 0.5518709E-02 |GRAD(Rho)| 0.1360350E-14 GRAD(Rho)x 0.6706972E-15 GRAD(Rho)y -0.1167468E-14 GRAD(Rho)z 0.1942536E-15 Laplacian 0.2278708E-01 (-1/4)Del**2(Rho)) -0.5696770E-02 Diamond 0.5960530E-03 Metallicity 0.5211792E+00 Ellipticity -0.3156508E+01 Gb(Abramov) 0.4292686E-02 Vb(Abramov) -0.2888602E-02 Hb(Abramov) 0.1404084E-02 Ex_ueg -0.7202806E-03 Ec_ueg -0.1693028E-03 Delta_ex -0.1146128E-02 Delta_ec 0.7018923E-03 Delta_et -0.3932683E-02 Pxc 0.4254392E+01 Qxc -0.1632912E+01 3,+1 91 3 +1 1.451086 1.720956 1.991706 Rho 0.5518709E-02 |GRAD(Rho)| 0.3608198E-17 GRAD(Rho)x -0.2847751E-17 GRAD(Rho)y 0.2176096E-17 GRAD(Rho)z -0.4171480E-18 Laplacian 0.2278708E-01 (-1/4)Del**2(Rho)) -0.5696770E-02 Diamond 0.5960530E-03 Metallicity 0.5211792E+00 Ellipticity -0.3156508E+01 Gb(Abramov) 0.4292686E-02 Vb(Abramov) -0.2888602E-02 Hb(Abramov) 0.1404084E-02 Ex_ueg -0.7202806E-03 Ec_ueg -0.1693028E-03 Delta_ex -0.1146128E-02 Delta_ec 0.7018923E-03 Delta_et -0.3932683E-02 Pxc 0.4254392E+01 Qxc -0.1632912E+01 3,+1 92 3 -1 3.943772 -0.718672 -2.199367 Rho 0.2115056E+00 |GRAD(Rho)| 0.2539167E-10 GRAD(Rho)x -0.2435560E-10 GRAD(Rho)y -0.5174958E-12 GRAD(Rho)z 0.7160580E-11 Laplacian 0.7678919E+00 (-1/4)Del**2(Rho)) -0.1919730E+00 Diamond 0.2341825E+01 Metallicity 0.6737772E+01 Ellipticity 0.3584731E-02 Gb(Abramov) 0.3435603E+00 Vb(Abramov) -0.4951477E+00 Hb(Abramov) -0.1515874E+00 Ex_ueg -0.9307098E-01 Ec_ueg -0.1249166E-01 Delta_ex -0.8984318E-01 Delta_ec 0.1769468E-01 Delta_et -0.2439296E+00 Pxc 0.7450648E+01 Qxc -0.5077411E+01 3,-1 93 3 -1 3.943772 -0.718672 2.199367 Rho 0.2115056E+00 |GRAD(Rho)| 0.1551023E-13 GRAD(Rho)x 0.1140423E-13 GRAD(Rho)y -0.4629679E-15 GRAD(Rho)z 0.1050221E-13 Laplacian 0.7678919E+00 (-1/4)Del**2(Rho)) -0.1919730E+00 Diamond 0.2341825E+01 Metallicity 0.6737772E+01 Ellipticity 0.3584731E-02 Gb(Abramov) 0.3435603E+00 Vb(Abramov) -0.4951477E+00 Hb(Abramov) -0.1515874E+00 Ex_ueg -0.9307098E-01 Ec_ueg -0.1249166E-01 Delta_ex -0.8984318E-01 Delta_ec 0.1769468E-01 Delta_et -0.2439296E+00 Pxc 0.7450648E+01 Qxc -0.5077411E+01 3,-1 94 3 -1 -0.086447 2.307972 -0.832397 Rho 0.4349893E-01 |GRAD(Rho)| 0.1795814E-13 GRAD(Rho)x 0.1568115E-13 GRAD(Rho)y 0.8551112E-14 GRAD(Rho)z 0.1864091E-14 Laplacian 0.1655076E+00 (-1/4)Del**2(Rho)) -0.4137691E-01 Diamond 0.6844348E-01 Metallicity 0.2240059E+01 Ellipticity 0.3951411E-01 Gb(Abramov) 0.4303239E-01 Vb(Abramov) -0.4468788E-01 Hb(Abramov) -0.1655484E-02 Ex_ueg -0.1129856E-01 Ec_ueg -0.2058802E-02 Delta_ex -0.1310517E-01 Delta_ec 0.4845362E-02 Delta_et -0.4923361E-01 Pxc 0.5487930E+01 Qxc -0.2704683E+01 3,-1 95 3 -1 -0.086447 2.307972 0.832397 Rho 0.4349893E-01 |GRAD(Rho)| 0.2840433E-13 GRAD(Rho)x 0.2631139E-13 GRAD(Rho)y 0.7557696E-14 GRAD(Rho)z -0.7576156E-14 Laplacian 0.1655076E+00 (-1/4)Del**2(Rho)) -0.4137691E-01 Diamond 0.6844348E-01 Metallicity 0.2240059E+01 Ellipticity 0.3951411E-01 Gb(Abramov) 0.4303239E-01 Vb(Abramov) -0.4468788E-01 Hb(Abramov) -0.1655484E-02 Ex_ueg -0.1129856E-01 Ec_ueg -0.2058802E-02 Delta_ex -0.1310517E-01 Delta_ec 0.4845362E-02 Delta_et -0.4923361E-01 Pxc 0.5487930E+01 Qxc -0.2704683E+01 3,-1 96 3 -1 -0.185372 2.356956 2.348489 Rho 0.1192412E+00 |GRAD(Rho)| 0.5446369E-13 GRAD(Rho)x 0.4753221E-13 GRAD(Rho)y -0.1011534E-14 GRAD(Rho)z 0.2656990E-13 Laplacian 0.4852065E+00 (-1/4)Del**2(Rho)) -0.1213016E+00 Diamond 0.7431580E+00 Metallicity 0.4102644E+01 Ellipticity 0.1626985E-01 Gb(Abramov) 0.1638106E+00 Vb(Abramov) -0.2063197E+00 Hb(Abramov) -0.4250902E-01 Ex_ueg -0.4334645E-01 Ec_ueg -0.6504689E-02 Delta_ex -0.4924869E-01 Delta_ec 0.1293378E-01 Delta_et -0.1659318E+00 Pxc 0.6663877E+01 Qxc -0.3807758E+01 3,-1 97 3 -1 -0.185372 2.356956 -2.348489 Rho 0.1192412E+00 |GRAD(Rho)| 0.6442513E-12 GRAD(Rho)x -0.2440910E-12 GRAD(Rho)y 0.4344613E-12 GRAD(Rho)z 0.4083169E-12 Laplacian 0.4852065E+00 (-1/4)Del**2(Rho)) -0.1213016E+00 Diamond 0.7431580E+00 Metallicity 0.4102644E+01 Ellipticity 0.1626985E-01 Gb(Abramov) 0.1638106E+00 Vb(Abramov) -0.2063197E+00 Hb(Abramov) -0.4250902E-01 Ex_ueg -0.4334645E-01 Ec_ueg -0.6504689E-02 Delta_ex -0.4924869E-01 Delta_ec 0.1293378E-01 Delta_et -0.1659318E+00 Pxc 0.6663877E+01 Qxc -0.3807758E+01 3,-1 98 3 +1 -0.336276 2.750407 0.000000 Rho 0.2341793E-01 |GRAD(Rho)| 0.1296782E-15 GRAD(Rho)x -0.1019456E-15 GRAD(Rho)y -0.2320548E-16 GRAD(Rho)z -0.7671407E-16 Laplacian 0.8330195E-01 (-1/4)Del**2(Rho)) -0.2082549E-01 Diamond 0.9314395E-02 Metallicity 0.1585643E+01 Ellipticity -0.3434644E+01 Gb(Abramov) 0.1938729E-01 Vb(Abramov) -0.1794910E-01 Hb(Abramov) 0.1438196E-02 Ex_ueg -0.4948229E-02 Ec_ueg -0.1009394E-02 Delta_ex -0.5015232E-02 Delta_ec 0.1277502E-02 Delta_et -0.1113458E-01 Pxc 0.4902178E+01 Qxc -0.3925811E+01 3,+1 99 3 +1 0.869068 2.558980 -0.658137 Rho 0.2749147E-01 |GRAD(Rho)| 0.3004985E-16 GRAD(Rho)x -0.1918675E-16 GRAD(Rho)y 0.1398895E-16 GRAD(Rho)z 0.1841662E-16 Laplacian 0.1097045E+00 (-1/4)Del**2(Rho)) -0.2742614E-01 Diamond 0.1721270E-01 Metallicity 0.1572963E+01 Ellipticity -0.6036997E+01 Gb(Abramov) 0.2547414E-01 Vb(Abramov) -0.2352214E-01 Hb(Abramov) 0.1951996E-02 Ex_ueg -0.6127957E-02 Ec_ueg -0.1214956E-02 Delta_ex -0.7081113E-02 Delta_ec 0.2008363E-02 Delta_et -0.1811798E-01 Pxc 0.5043769E+01 Qxc -0.3525813E+01 3,+1 100 3 +1 0.869068 2.558980 0.658137 Rho 0.2749147E-01 |GRAD(Rho)| 0.1076807E-15 GRAD(Rho)x -0.3969523E-16 GRAD(Rho)y -0.7916492E-16 GRAD(Rho)z -0.6125626E-16 Laplacian 0.1097045E+00 (-1/4)Del**2(Rho)) -0.2742614E-01 Diamond 0.1721270E-01 Metallicity 0.1572963E+01 Ellipticity -0.6036997E+01 Gb(Abramov) 0.2547414E-01 Vb(Abramov) -0.2352214E-01 Hb(Abramov) 0.1951996E-02 Ex_ueg -0.6127957E-02 Ec_ueg -0.1214956E-02 Delta_ex -0.7081113E-02 Delta_ec 0.2008363E-02 Delta_et -0.1811798E-01 Pxc 0.5043769E+01 Qxc -0.3525813E+01 3,+1 101 3 -1 1.492926 1.583896 -2.086502 Rho 0.5537460E-02 |GRAD(Rho)| 0.4623754E-17 GRAD(Rho)x 0.2936822E-17 GRAD(Rho)y -0.1146175E-17 GRAD(Rho)z 0.3382375E-17 Laplacian 0.2216923E-01 (-1/4)Del**2(Rho)) -0.5542308E-02 Diamond 0.6937741E-03 Metallicity 0.5387411E+00 Ellipticity 0.2491462E+01 Gb(Abramov) 0.4192517E-02 Vb(Abramov) -0.2842726E-02 Hb(Abramov) 0.1349791E-02 Ex_ueg -0.7235455E-03 Ec_ueg -0.1701147E-03 Delta_ex -0.1205938E-02 Delta_ec 0.8437965E-03 Delta_et -0.4666887E-02 Pxc 0.4253280E+01 Qxc -0.1429181E+01 3,-1 102 3 +1 1.586971 1.264739 -2.306748 Rho 0.5351401E-02 |GRAD(Rho)| 0.3367852E-17 GRAD(Rho)x 0.1986478E-17 GRAD(Rho)y 0.1618309E-17 GRAD(Rho)z 0.2185729E-17 Laplacian 0.2173614E-01 (-1/4)Del**2(Rho)) -0.5434034E-02 Diamond 0.4784899E-03 Metallicity 0.5190510E+00 Ellipticity -0.1913671E+01 Gb(Abramov) 0.4092780E-02 Vb(Abramov) -0.2751525E-02 Hb(Abramov) 0.1341255E-02 Ex_ueg -0.6913136E-03 Ec_ueg -0.1620662E-03 Delta_ex -0.1029829E-02 Delta_ec 0.5680493E-03 Delta_et -0.3195193E-02 Pxc 0.4265624E+01 Qxc -0.1812922E+01 3,+1 103 3 +1 1.586971 1.264739 2.306748 Rho 0.5351401E-02 |GRAD(Rho)| 0.2365352E-16 GRAD(Rho)x 0.8279323E-17 GRAD(Rho)y -0.1748402E-16 GRAD(Rho)z 0.1361070E-16 Laplacian 0.2173614E-01 (-1/4)Del**2(Rho)) -0.5434034E-02 Diamond 0.4784899E-03 Metallicity 0.5190510E+00 Ellipticity -0.1913671E+01 Gb(Abramov) 0.4092780E-02 Vb(Abramov) -0.2751525E-02 Hb(Abramov) 0.1341255E-02 Ex_ueg -0.6913136E-03 Ec_ueg -0.1620662E-03 Delta_ex -0.1029829E-02 Delta_ec 0.5680493E-03 Delta_et -0.3195193E-02 Pxc 0.4265624E+01 Qxc -0.1812922E+01 3,+1 104 3 -1 1.492926 1.583896 2.086502 Rho 0.5537460E-02 |GRAD(Rho)| 0.9248399E-17 GRAD(Rho)x -0.5908165E-17 GRAD(Rho)y 0.3669345E-18 GRAD(Rho)z 0.7105761E-17 Laplacian 0.2216923E-01 (-1/4)Del**2(Rho)) -0.5542308E-02 Diamond 0.6937741E-03 Metallicity 0.5387411E+00 Ellipticity 0.2491462E+01 Gb(Abramov) 0.4192517E-02 Vb(Abramov) -0.2842726E-02 Hb(Abramov) 0.1349791E-02 Ex_ueg -0.7235455E-03 Ec_ueg -0.1701147E-03 Delta_ex -0.1205938E-02 Delta_ec 0.8437965E-03 Delta_et -0.4666887E-02 Pxc 0.4253280E+01 Qxc -0.1429181E+01 3,-1 105 3 -1 1.369406 2.011272 -0.000000 Rho 0.6088094E-01 |GRAD(Rho)| 0.1608992E-14 GRAD(Rho)x -0.1471087E-14 GRAD(Rho)y -0.6517279E-15 GRAD(Rho)z 0.2726420E-17 Laplacian 0.2322006E+00 (-1/4)Del**2(Rho)) -0.5805014E-01 Diamond 0.1546617E+00 Metallicity 0.2796096E+01 Ellipticity 0.2023136E-01 Gb(Abramov) 0.6575239E-01 Vb(Abramov) -0.7345464E-01 Hb(Abramov) -0.7702248E-02 Ex_ueg -0.1768860E-01 Ec_ueg -0.3024616E-02 Delta_ex -0.2011891E-01 Delta_ec 0.6957070E-02 Delta_et -0.7718933E-01 Pxc 0.5848215E+01 Qxc -0.2891865E+01 3,-1 106 3 +3 1.808258 0.302620 0.000000 Rho 0.4411445E-02 |GRAD(Rho)| 0.1743345E-15 GRAD(Rho)x 0.1612320E-15 GRAD(Rho)y 0.6628248E-16 GRAD(Rho)z 0.1838349E-17 Laplacian 0.1688929E-01 (-1/4)Del**2(Rho)) -0.4222322E-02 Diamond 0.1334626E-03 Metallicity 0.4841389E+00 Ellipticity -0.5951170E+00 Gb(Abramov) 0.3155579E-02 Vb(Abramov) -0.2088837E-02 Hb(Abramov) 0.1066742E-02 Ex_ueg -0.5343505E-03 Ec_ueg -0.1216735E-03 Delta_ex -0.6010655E-03 Delta_ec 0.1411886E-03 Delta_et -0.8982464E-03 Pxc 0.4391676E+01 Qxc -0.4257182E+01 3,+3 107 3 -1 0.047420 0.861774 -3.243950 Rho 0.1408882E+00 |GRAD(Rho)| 0.4088670E-15 GRAD(Rho)x 0.4283107E-16 GRAD(Rho)y 0.3921966E-15 GRAD(Rho)z 0.1073292E-15 Laplacian 0.5756783E+00 (-1/4)Del**2(Rho)) -0.1439196E+00 Diamond 0.1075315E+01 Metallicity 0.4566231E+01 Ellipticity 0.1709043E-01 Gb(Abramov) 0.2054747E+00 Vb(Abramov) -0.2670299E+00 Hb(Abramov) -0.6155515E-01 Ex_ueg -0.5414413E-01 Ec_ueg -0.7862806E-02 Delta_ex -0.6080868E-01 Delta_ec 0.1470377E-01 Delta_et -0.1937001E+00 Pxc 0.6886108E+01 Qxc -0.4135585E+01 3,-1 108 3 -1 0.047420 0.861774 3.243950 Rho 0.1408882E+00 |GRAD(Rho)| 0.1461878E-15 GRAD(Rho)x -0.2481129E-16 GRAD(Rho)y -0.8604499E-16 GRAD(Rho)z 0.1155488E-15 Laplacian 0.5756783E+00 (-1/4)Del**2(Rho)) -0.1439196E+00 Diamond 0.1075315E+01 Metallicity 0.4566231E+01 Ellipticity 0.1709043E-01 Gb(Abramov) 0.2054747E+00 Vb(Abramov) -0.2670299E+00 Hb(Abramov) -0.6155515E-01 Ex_ueg -0.5414413E-01 Ec_ueg -0.7862806E-02 Delta_ex -0.6080868E-01 Delta_ec 0.1470377E-01 Delta_et -0.1937001E+00 Pxc 0.6886108E+01 Qxc -0.4135585E+01 3,-1 109 3 -1 2.785133 -1.661742 -2.007125 Rho 0.1894283E+00 |GRAD(Rho)| 0.1331894E-13 GRAD(Rho)x -0.1177145E-13 GRAD(Rho)y -0.5664523E-14 GRAD(Rho)z 0.2596203E-14 Laplacian 0.7056661E+00 (-1/4)Del**2(Rho)) -0.1764165E+00 Diamond 0.1887244E+01 Metallicity 0.6101295E+01 Ellipticity 0.4884005E-01 Gb(Abramov) 0.2970059E+00 Vb(Abramov) -0.4175952E+00 Hb(Abramov) -0.1205894E+00 Ex_ueg -0.8034858E-01 Ec_ueg -0.1101369E-01 Delta_ex -0.8028737E-01 Delta_ec 0.1678855E-01 Delta_et -0.2294825E+00 Pxc 0.7295337E+01 Qxc -0.4782270E+01 3,-1 110 3 -1 2.785133 -1.661742 2.007125 Rho 0.1894283E+00 |GRAD(Rho)| 0.1340170E-13 GRAD(Rho)x -0.1184033E-13 GRAD(Rho)y -0.5737815E-14 GRAD(Rho)z -0.2547472E-14 Laplacian 0.7056661E+00 (-1/4)Del**2(Rho)) -0.1764165E+00 Diamond 0.1887244E+01 Metallicity 0.6101295E+01 Ellipticity 0.4884005E-01 Gb(Abramov) 0.2970059E+00 Vb(Abramov) -0.4175952E+00 Hb(Abramov) -0.1205894E+00 Ex_ueg -0.8034858E-01 Ec_ueg -0.1101369E-01 Delta_ex -0.8028737E-01 Delta_ec 0.1678855E-01 Delta_et -0.2294825E+00 Pxc 0.7295337E+01 Qxc -0.4782270E+01 3,-1 111 3 -1 2.561001 -0.404165 -2.719161 Rho 0.1737631E+00 |GRAD(Rho)| 0.1324389E-13 GRAD(Rho)x 0.1310162E-13 GRAD(Rho)y -0.1612236E-14 GRAD(Rho)z 0.1071869E-14 Laplacian 0.6540705E+00 (-1/4)Del**2(Rho)) -0.1635176E+00 Diamond 0.1578111E+01 Metallicity 0.5700566E+01 Ellipticity 0.4763272E-01 Gb(Abramov) 0.2643689E+00 Vb(Abramov) -0.3652202E+00 Hb(Abramov) -0.1008513E+00 Ex_ueg -0.7161355E-01 Ec_ueg -0.9981673E-02 Delta_ex -0.7282423E-01 Delta_ec 0.1593685E-01 Delta_et -0.2159743E+00 Pxc 0.7174503E+01 Qxc -0.4569548E+01 3,-1 112 3 -1 3.127877 -0.778646 -0.910655 Rho 0.1298441E+00 |GRAD(Rho)| 0.2213961E-13 GRAD(Rho)x -0.8211925E-14 GRAD(Rho)y -0.1580636E-13 GRAD(Rho)z 0.1314861E-13 Laplacian 0.5487888E+00 (-1/4)Del**2(Rho)) -0.1371972E+00 Diamond 0.9278345E+00 Metallicity 0.4180662E+01 Ellipticity 0.8077206E-02 Gb(Abramov) 0.1870607E+00 Vb(Abramov) -0.2369241E+00 Hb(Abramov) -0.4986346E-01 Ex_ueg -0.4856031E-01 Ec_ueg -0.7166022E-02 Delta_ex -0.5681243E-01 Delta_ec 0.1426485E-01 Delta_et -0.1855071E+00 Pxc 0.6776467E+01 Qxc -0.3982687E+01 3,-1 113 3 -1 3.127877 -0.778646 0.910655 Rho 0.1298441E+00 |GRAD(Rho)| 0.2225988E-13 GRAD(Rho)x -0.8187900E-14 GRAD(Rho)y -0.1579103E-13 GRAD(Rho)z -0.1338297E-13 Laplacian 0.5487888E+00 (-1/4)Del**2(Rho)) -0.1371972E+00 Diamond 0.9278345E+00 Metallicity 0.4180662E+01 Ellipticity 0.8077206E-02 Gb(Abramov) 0.1870607E+00 Vb(Abramov) -0.2369241E+00 Hb(Abramov) -0.4986346E-01 Ex_ueg -0.4856031E-01 Ec_ueg -0.7166022E-02 Delta_ex -0.5681243E-01 Delta_ec 0.1426485E-01 Delta_et -0.1855071E+00 Pxc 0.6776467E+01 Qxc -0.3982687E+01 3,-1 114 3 -1 2.561001 -0.404165 2.719161 Rho 0.1737631E+00 |GRAD(Rho)| 0.3072741E-13 GRAD(Rho)x -0.2830027E-13 GRAD(Rho)y -0.1104870E-14 GRAD(Rho)z 0.1191839E-13 Laplacian 0.6540705E+00 (-1/4)Del**2(Rho)) -0.1635176E+00 Diamond 0.1578111E+01 Metallicity 0.5700566E+01 Ellipticity 0.4763272E-01 Gb(Abramov) 0.2643689E+00 Vb(Abramov) -0.3652202E+00 Hb(Abramov) -0.1008513E+00 Ex_ueg -0.7161355E-01 Ec_ueg -0.9981673E-02 Delta_ex -0.7282423E-01 Delta_ec 0.1593685E-01 Delta_et -0.2159743E+00 Pxc 0.7174503E+01 Qxc -0.4569548E+01 3,-1 115 3 +1 -1.710134 2.356286 0.000000 Rho 0.7967952E-02 |GRAD(Rho)| 0.3886626E-14 GRAD(Rho)x 0.3723282E-14 GRAD(Rho)y -0.1114912E-14 GRAD(Rho)z -0.1212951E-17 Laplacian 0.3464815E-01 (-1/4)Del**2(Rho)) -0.8662037E-02 Diamond 0.9286320E-03 Metallicity 0.6321852E+00 Ellipticity -0.1364828E+01 Gb(Abramov) 0.6687360E-02 Vb(Abramov) -0.4712683E-02 Hb(Abramov) 0.1974677E-02 Ex_ueg -0.1175386E-02 Ec_ueg -0.2767899E-03 Delta_ex -0.1599053E-02 Delta_ec 0.5703623E-03 Delta_et -0.3753667E-02 Pxc 0.4246494E+01 Qxc -0.2803575E+01 3,+1 116 3 -1 0.087473 0.636525 -0.000000 Rho 0.1296998E+00 |GRAD(Rho)| 0.7837365E-13 GRAD(Rho)x -0.3936512E-13 GRAD(Rho)y -0.5888862E-13 GRAD(Rho)z 0.3354023E-13 Laplacian 0.6508840E+00 (-1/4)Del**2(Rho)) -0.1627210E+00 Diamond 0.1316190E+01 Metallicity 0.3518371E+01 Ellipticity 0.5244304E-02 Gb(Abramov) 0.2038995E+00 Vb(Abramov) -0.2450779E+00 Hb(Abramov) -0.4117847E-01 Ex_ueg -0.4848834E-01 Ec_ueg -0.7156967E-02 Delta_ex -0.6999023E-01 Delta_ec 0.2161285E-01 Delta_et -0.2898187E+00 Pxc 0.6774985E+01 Qxc -0.3238362E+01 3,-1 117 3 -1 0.546252 -3.846752 -2.180841 Rho 0.2081501E+00 |GRAD(Rho)| 0.8679379E-15 GRAD(Rho)x 0.1011290E-15 GRAD(Rho)y -0.8573871E-15 GRAD(Rho)z -0.8931115E-16 Laplacian 0.7820850E+00 (-1/4)Del**2(Rho)) -0.1955212E+00 Diamond 0.2327354E+01 Metallicity 0.6441498E+01 Ellipticity 0.1926287E-01 Gb(Abramov) 0.3402558E+00 Vb(Abramov) -0.4849903E+00 Hb(Abramov) -0.1447345E+00 Ex_ueg -0.9110744E-01 Ec_ueg -0.1226527E-01 Delta_ex -0.9104931E-01 Delta_ec 0.1796054E-01 Delta_et -0.2467998E+00 Pxc 0.7428081E+01 Qxc -0.5069409E+01 3,-1 118 3 -1 0.565907 -3.072497 -0.877322 Rho 0.1316200E+00 |GRAD(Rho)| 0.1219527E-11 GRAD(Rho)x 0.3104310E-12 GRAD(Rho)y -0.9832383E-13 GRAD(Rho)z 0.1175250E-11 Laplacian 0.5387019E+00 (-1/4)Del**2(Rho)) -0.1346755E+00 Diamond 0.9318746E+00 Metallicity 0.4356468E+01 Ellipticity 0.4307605E-02 Gb(Abramov) 0.1875685E+00 Vb(Abramov) -0.2404616E+00 Hb(Abramov) -0.5289306E-01 Ex_ueg -0.4944787E-01 Ec_ueg -0.7277528E-02 Delta_ex -0.5602412E-01 Delta_ec 0.1408628E-01 Delta_et -0.1838295E+00 Pxc 0.6794597E+01 Qxc -0.3977212E+01 3,-1 119 3 -1 0.565907 -3.072497 0.877322 Rho 0.1316200E+00 |GRAD(Rho)| 0.4790765E-15 GRAD(Rho)x -0.4028963E-15 GRAD(Rho)y -0.1916463E-15 GRAD(Rho)z 0.1745294E-15 Laplacian 0.5387019E+00 (-1/4)Del**2(Rho)) -0.1346755E+00 Diamond 0.9318746E+00 Metallicity 0.4356468E+01 Ellipticity 0.4307605E-02 Gb(Abramov) 0.1875685E+00 Vb(Abramov) -0.2404616E+00 Hb(Abramov) -0.5289306E-01 Ex_ueg -0.4944787E-01 Ec_ueg -0.7277528E-02 Delta_ex -0.5602412E-01 Delta_ec 0.1408628E-01 Delta_et -0.1838295E+00 Pxc 0.6794597E+01 Qxc -0.3977212E+01 3,-1 120 3 -1 0.546252 -3.846752 2.180841 Rho 0.2081501E+00 |GRAD(Rho)| 0.1098239E-14 GRAD(Rho)x 0.2316669E-15 GRAD(Rho)y -0.1055037E-14 GRAD(Rho)z 0.1983819E-15 Laplacian 0.7820850E+00 (-1/4)Del**2(Rho)) -0.1955212E+00 Diamond 0.2327354E+01 Metallicity 0.6441498E+01 Ellipticity 0.1926287E-01 Gb(Abramov) 0.3402558E+00 Vb(Abramov) -0.4849903E+00 Hb(Abramov) -0.1447345E+00 Ex_ueg -0.9110744E-01 Ec_ueg -0.1226527E-01 Delta_ex -0.9104931E-01 Delta_ec 0.1796054E-01 Delta_et -0.2467998E+00 Pxc 0.7428081E+01 Qxc -0.5069409E+01 3,-1 121 3 -1 1.480977 -2.707158 -1.973140 Rho 0.5118967E-01 |GRAD(Rho)| 0.7266861E-16 GRAD(Rho)x 0.6962060E-16 GRAD(Rho)y 0.1130323E-16 GRAD(Rho)z 0.1749102E-16 Laplacian 0.2022127E+00 (-1/4)Del**2(Rho)) -0.5055318E-01 Diamond 0.1082025E+00 Metallicity 0.2404964E+01 Ellipticity 0.1233491E-01 Gb(Abramov) 0.5396522E-01 Vb(Abramov) -0.5737725E-01 Hb(Abramov) -0.3412034E-02 Ex_ueg -0.1403766E-01 Ec_ueg -0.2480739E-02 Delta_ex -0.1684236E-01 Delta_ec 0.6200483E-02 Delta_et -0.6583857E-01 Pxc 0.5658661E+01 Qxc -0.2716298E+01 3,-1 122 3 -1 3.128842 3.142230 0.000000 Rho 0.2092704E+00 |GRAD(Rho)| 0.1642495E-15 GRAD(Rho)x -0.1587272E-15 GRAD(Rho)y -0.4222967E-16 GRAD(Rho)z -0.4642468E-18 Laplacian 0.7876358E+00 (-1/4)Del**2(Rho)) -0.1969089E+00 Diamond 0.2358598E+01 Metallicity 0.6453579E+01 Ellipticity 0.3557274E-02 Gb(Abramov) 0.3430672E+00 Vb(Abramov) -0.4892255E+00 Hb(Abramov) -0.1461583E+00 Ex_ueg -0.9176183E-01 Ec_ueg -0.1234079E-01 Delta_ex -0.9181925E-01 Delta_ec 0.1805578E-01 Delta_et -0.2481807E+00 Pxc 0.7435655E+01 Qxc -0.5085310E+01 3,-1 123 3 +3 -1.384347 2.055714 -0.000000 Rho 0.7511658E-02 |GRAD(Rho)| 0.8863653E-17 GRAD(Rho)x 0.4702727E-17 GRAD(Rho)y 0.3984443E-17 GRAD(Rho)z -0.6369688E-17 Laplacian 0.3271383E-01 (-1/4)Del**2(Rho)) -0.8178456E-02 Diamond 0.5054313E-03 Metallicity 0.6068875E+00 Ellipticity -0.6041273E+00 Gb(Abramov) 0.6279538E-02 Vb(Abramov) -0.4380620E-02 Hb(Abramov) 0.1898918E-02 Ex_ueg -0.1086508E-02 Ec_ueg -0.2565510E-03 Delta_ex -0.1324279E-02 Delta_ec 0.2457294E-03 Delta_et -0.1802854E-02 Pxc 0.4235055E+01 Qxc -0.5389176E+01 3,+3 124 3 -1 -1.337817 2.505916 -1.584998 Rho 0.1442299E+00 |GRAD(Rho)| 0.2909233E-16 GRAD(Rho)x 0.2846031E-17 GRAD(Rho)y 0.2702374E-16 GRAD(Rho)z 0.1039140E-16 Laplacian 0.5522748E+00 (-1/4)Del**2(Rho)) -0.1380687E+00 Diamond 0.1062620E+01 Metallicity 0.4949374E+01 Ellipticity 0.8912851E-01 Gb(Abramov) 0.2059381E+00 Vb(Abramov) -0.2738074E+00 Hb(Abramov) -0.6786936E-01 Ex_ueg -0.5586317E-01 Ec_ueg -0.8075175E-02 Delta_ex -0.5868838E-01 Delta_ec 0.1405416E-01 Delta_et -0.1858398E+00 Pxc 0.6917889E+01 Qxc -0.4175871E+01 3,-1 125 3 -1 -1.337817 2.505916 1.584998 Rho 0.1442299E+00 |GRAD(Rho)| 0.1817474E-15 GRAD(Rho)x -0.1687696E-15 GRAD(Rho)y 0.2387955E-16 GRAD(Rho)z 0.6307685E-16 Laplacian 0.5522748E+00 (-1/4)Del**2(Rho)) -0.1380687E+00 Diamond 0.1062620E+01 Metallicity 0.4949374E+01 Ellipticity 0.8912851E-01 Gb(Abramov) 0.2059381E+00 Vb(Abramov) -0.2738074E+00 Hb(Abramov) -0.6786936E-01 Ex_ueg -0.5586317E-01 Ec_ueg -0.8075175E-02 Delta_ex -0.5868838E-01 Delta_ec 0.1405416E-01 Delta_et -0.1858398E+00 Pxc 0.6917889E+01 Qxc -0.4175871E+01 3,-1 126 3 -1 -0.768383 3.541966 0.793542 Rho 0.1277081E+00 |GRAD(Rho)| 0.7174491E-16 GRAD(Rho)x 0.1935640E-16 GRAD(Rho)y -0.6906368E-16 GRAD(Rho)z 0.1694066E-17 Laplacian 0.4923210E+00 (-1/4)Del**2(Rho)) -0.1230803E+00 Diamond 0.8181735E+00 Metallicity 0.4533101E+01 Ellipticity 0.5272474E-01 Gb(Abramov) 0.1750427E+00 Vb(Abramov) -0.2270052E+00 Hb(Abramov) -0.5196246E-01 Ex_ueg -0.4749810E-01 Ec_ueg -0.7032179E-02 Delta_ex -0.5079067E-01 Delta_ec 0.1289726E-01 Delta_et -0.1673640E+00 Pxc 0.6754393E+01 Qxc -0.3938097E+01 3,-1 127 3 -1 -0.768383 3.541966 -0.793542 Rho 0.1277081E+00 |GRAD(Rho)| 0.1374188E-15 GRAD(Rho)x -0.1818072E-16 GRAD(Rho)y -0.1883801E-16 GRAD(Rho)z 0.1349019E-15 Laplacian 0.4923210E+00 (-1/4)Del**2(Rho)) -0.1230803E+00 Diamond 0.8181735E+00 Metallicity 0.4533101E+01 Ellipticity 0.5272474E-01 Gb(Abramov) 0.1750427E+00 Vb(Abramov) -0.2270052E+00 Hb(Abramov) -0.5196246E-01 Ex_ueg -0.4749810E-01 Ec_ueg -0.7032179E-02 Delta_ex -0.5079067E-01 Delta_ec 0.1289726E-01 Delta_et -0.1673640E+00 Pxc 0.6754393E+01 Qxc -0.3938097E+01 3,-1 128 3 +1 -1.309319 -0.024355 1.714161 Rho 0.5166699E-02 |GRAD(Rho)| 0.6269582E-17 GRAD(Rho)x 0.5299462E-17 GRAD(Rho)y -0.1836367E-17 GRAD(Rho)z -0.2801985E-17 Laplacian 0.1970252E-01 (-1/4)Del**2(Rho)) -0.4925630E-02 Diamond 0.3523035E-03 Metallicity 0.5400658E+00 Ellipticity -0.1586293E+01 Gb(Abramov) 0.3727114E-02 Vb(Abramov) -0.2528598E-02 Hb(Abramov) 0.1198516E-02 Ex_ueg -0.6596840E-03 Ec_ueg -0.1540936E-03 Delta_ex -0.8721653E-03 Delta_ec 0.4174920E-03 Delta_et -0.2371501E-02 Pxc 0.4281061E+01 Qxc -0.2089059E+01 3,+1 129 3 +1 -1.309319 -0.024355 -1.714161 Rho 0.5166699E-02 |GRAD(Rho)| 0.3269282E-15 GRAD(Rho)x 0.2686213E-15 GRAD(Rho)y 0.9777471E-16 GRAD(Rho)z 0.1586340E-15 Laplacian 0.1970252E-01 (-1/4)Del**2(Rho)) -0.4925630E-02 Diamond 0.3523035E-03 Metallicity 0.5400658E+00 Ellipticity -0.1586293E+01 Gb(Abramov) 0.3727114E-02 Vb(Abramov) -0.2528598E-02 Hb(Abramov) 0.1198516E-02 Ex_ueg -0.6596840E-03 Ec_ueg -0.1540936E-03 Delta_ex -0.8721653E-03 Delta_ec 0.4174920E-03 Delta_et -0.2371501E-02 Pxc 0.4281061E+01 Qxc -0.2089059E+01 3,+1 130 3 -1 0.237095 -0.410235 2.445293 Rho 0.4788914E-01 |GRAD(Rho)| 0.1305408E-15 GRAD(Rho)x 0.2212228E-16 GRAD(Rho)y -0.2329108E-16 GRAD(Rho)z -0.1265268E-15 Laplacian 0.1789947E+00 (-1/4)Del**2(Rho)) -0.4474867E-01 Diamond 0.8590645E-01 Metallicity 0.2431279E+01 Ellipticity 0.1762448E-01 Gb(Abramov) 0.4796519E-01 Vb(Abramov) -0.5118172E-01 Hb(Abramov) -0.3216525E-02 Ex_ueg -0.1284402E-01 Ec_ueg -0.2298530E-02 Delta_ex -0.1458997E-01 Delta_ec 0.5362503E-02 Delta_et -0.5591793E-01 Pxc 0.5587930E+01 Qxc -0.2720739E+01 3,-1 131 3 -1 1.111073 -0.106897 3.492970 Rho 0.7136072E-01 |GRAD(Rho)| 0.1862313E-15 GRAD(Rho)x 0.1849598E-15 GRAD(Rho)y -0.9009466E-17 GRAD(Rho)z 0.1976890E-16 Laplacian 0.2860995E+00 (-1/4)Del**2(Rho)) -0.7152488E-01 Diamond 0.2339798E+00 Metallicity 0.2957069E+01 Ellipticity 0.1765812E-01 Gb(Abramov) 0.8293392E-01 Vb(Abramov) -0.9434296E-01 Hb(Abramov) -0.1140904E-01 Ex_ueg -0.2186070E-01 Ec_ueg -0.3625847E-02 Delta_ex -0.2575226E-01 Delta_ec 0.8441314E-02 Delta_et -0.9736049E-01 Pxc 0.6029129E+01 Qxc -0.3050741E+01 3,-1 132 3 -1 1.111073 -0.106897 -3.492970 Rho 0.7136072E-01 |GRAD(Rho)| 0.3470842E-16 GRAD(Rho)x 0.5798788E-17 GRAD(Rho)y -0.6156077E-18 GRAD(Rho)z -0.3421505E-16 Laplacian 0.2860995E+00 (-1/4)Del**2(Rho)) -0.7152488E-01 Diamond 0.2339798E+00 Metallicity 0.2957069E+01 Ellipticity 0.1765812E-01 Gb(Abramov) 0.8293392E-01 Vb(Abramov) -0.9434296E-01 Hb(Abramov) -0.1140904E-01 Ex_ueg -0.2186070E-01 Ec_ueg -0.3625847E-02 Delta_ex -0.2575226E-01 Delta_ec 0.8441314E-02 Delta_et -0.9736049E-01 Pxc 0.6029129E+01 Qxc -0.3050741E+01 3,-1 133 3 -1 0.428442 3.339608 1.509646 Rho 0.1571485E+00 |GRAD(Rho)| 0.9359890E-14 GRAD(Rho)x 0.6074785E-14 GRAD(Rho)y -0.5074168E-14 GRAD(Rho)z -0.4995733E-14 Laplacian 0.6015506E+00 (-1/4)Del**2(Rho)) -0.1503876E+00 Diamond 0.1280276E+01 Metallicity 0.5242337E+01 Ellipticity 0.6356507E-01 Gb(Abramov) 0.2316556E+00 Vb(Abramov) -0.3129235E+00 Hb(Abramov) -0.8126791E-01 Ex_ueg -0.6263238E-01 Ec_ueg -0.8902683E-02 Delta_ex -0.6526367E-01 Delta_ec 0.1493773E-01 Delta_et -0.1997391E+00 Pxc 0.7035225E+01 Qxc -0.4369048E+01 3,-1 134 3 +1 0.520064 3.427738 -0.000000 Rho 0.1182253E-01 |GRAD(Rho)| 0.2435941E-16 GRAD(Rho)x 0.2142649E-17 GRAD(Rho)y 0.6705642E-17 GRAD(Rho)z -0.2332004E-16 Laplacian 0.5346798E-01 (-1/4)Del**2(Rho)) -0.1336699E-01 Diamond 0.1572010E-02 Metallicity 0.7907461E+00 Ellipticity -0.1074798E+01 Gb(Abramov) 0.1067298E-01 Vb(Abramov) -0.7978964E-02 Hb(Abramov) 0.2694015E-02 Ex_ueg -0.1989142E-02 Ec_ueg -0.4513828E-03 Delta_ex -0.2462498E-02 Delta_ec 0.4165865E-03 Delta_et -0.3327206E-02 Pxc 0.4406775E+01 Qxc -0.5911134E+01 3,+1 135 3 -1 1.480977 -2.707158 1.973140 Rho 0.5118967E-01 |GRAD(Rho)| 0.2713307E-15 GRAD(Rho)x -0.2611504E-15 GRAD(Rho)y -0.5908605E-16 GRAD(Rho)z -0.4392782E-16 Laplacian 0.2022127E+00 (-1/4)Del**2(Rho)) -0.5055318E-01 Diamond 0.1082025E+00 Metallicity 0.2404964E+01 Ellipticity 0.1233491E-01 Gb(Abramov) 0.5396522E-01 Vb(Abramov) -0.5737725E-01 Hb(Abramov) -0.3412034E-02 Ex_ueg -0.1403766E-01 Ec_ueg -0.2480739E-02 Delta_ex -0.1684236E-01 Delta_ec 0.6200483E-02 Delta_et -0.6583857E-01 Pxc 0.5658661E+01 Qxc -0.2716298E+01 3,-1 136 3 +3 1.636903 -1.614708 -0.000000 Rho 0.4201835E-02 |GRAD(Rho)| 0.8046138E-17 GRAD(Rho)x -0.7825083E-17 GRAD(Rho)y 0.6896329E-18 GRAD(Rho)z -0.1741497E-17 Laplacian 0.1753191E-01 (-1/4)Del**2(Rho)) -0.4382977E-02 Diamond 0.1676920E-03 Metallicity 0.4300468E+00 Ellipticity -0.2201994E+00 Gb(Abramov) 0.3236132E-02 Vb(Abramov) -0.2089287E-02 Hb(Abramov) 0.1146845E-02 Ex_ueg -0.5007686E-03 Ec_ueg -0.1127279E-03 Delta_ex -0.6606675E-03 Delta_ec 0.2260238E-03 Delta_et -0.1298784E-02 Pxc 0.4442278E+01 Qxc -0.2923000E+01 3,+3 137 3 -1 2.970093 0.355872 -1.617855 Rho 0.7272739E-01 |GRAD(Rho)| 0.1284011E-15 GRAD(Rho)x 0.3708734E-17 GRAD(Rho)y 0.1268161E-15 GRAD(Rho)z 0.1976763E-16 Laplacian 0.2951812E+00 (-1/4)Del**2(Rho)) -0.7379529E-01 Diamond 0.2477921E+00 Metallicity 0.2958157E+01 Ellipticity 0.8932453E-02 Gb(Abramov) 0.8557986E-01 Vb(Abramov) -0.9736444E-01 Hb(Abramov) -0.1178457E-01 Ex_ueg -0.2242069E-01 Ec_ueg -0.3705155E-02 Delta_ex -0.2670244E-01 Delta_ec 0.8711534E-02 Delta_et -0.1009448E+00 Pxc 0.6051216E+01 Qxc -0.3065182E+01 3,-1 138 3 -1 2.970093 0.355872 1.617855 Rho 0.7272739E-01 |GRAD(Rho)| 0.1856978E-15 GRAD(Rho)x 0.2802260E-16 GRAD(Rho)y -0.1829710E-15 GRAD(Rho)z -0.1483282E-16 Laplacian 0.2951812E+00 (-1/4)Del**2(Rho)) -0.7379529E-01 Diamond 0.2477921E+00 Metallicity 0.2958157E+01 Ellipticity 0.8932453E-02 Gb(Abramov) 0.8557986E-01 Vb(Abramov) -0.9736444E-01 Hb(Abramov) -0.1178457E-01 Ex_ueg -0.2242069E-01 Ec_ueg -0.3705155E-02 Delta_ex -0.2670244E-01 Delta_ec 0.8711534E-02 Delta_et -0.1009448E+00 Pxc 0.6051216E+01 Qxc -0.3065182E+01 3,-1 139 3 -1 -0.814828 3.754015 -2.293124 Rho 0.2163290E+00 |GRAD(Rho)| 0.1406444E-15 GRAD(Rho)x -0.1054929E-15 GRAD(Rho)y 0.8819985E-16 GRAD(Rho)z -0.2954451E-16 Laplacian 0.8047539E+00 (-1/4)Del**2(Rho)) -0.2011885E+00 Diamond 0.2508139E+01 Metallicity 0.6675360E+01 Ellipticity 0.2097359E-02 Gb(Abramov) 0.3579599E+00 Vb(Abramov) -0.5147313E+00 Hb(Abramov) -0.1567714E+00 Ex_ueg -0.9591166E-01 Ec_ueg -0.1281818E-01 Delta_ex -0.9462130E-01 Delta_ec 0.1827900E-01 Delta_et -0.2517890E+00 Pxc 0.7482474E+01 Qxc -0.5176504E+01 3,-1 140 3 -1 -0.814828 3.754015 2.293124 Rho 0.2163290E+00 |GRAD(Rho)| 0.1168329E-14 GRAD(Rho)x 0.3410629E-15 GRAD(Rho)y -0.8615070E-15 GRAD(Rho)z -0.7116703E-15 Laplacian 0.8047539E+00 (-1/4)Del**2(Rho)) -0.2011885E+00 Diamond 0.2508139E+01 Metallicity 0.6675360E+01 Ellipticity 0.2097359E-02 Gb(Abramov) 0.3579599E+00 Vb(Abramov) -0.5147313E+00 Hb(Abramov) -0.1567714E+00 Ex_ueg -0.9591166E-01 Ec_ueg -0.1281818E-01 Delta_ex -0.9462130E-01 Delta_ec 0.1827900E-01 Delta_et -0.2517890E+00 Pxc 0.7482474E+01 Qxc -0.5176504E+01 3,-1 141 3 -1 0.041004 0.045846 4.527362 Rho 0.2097502E+00 |GRAD(Rho)| 0.2913777E-15 GRAD(Rho)x -0.2191444E-16 GRAD(Rho)y -0.4835542E-16 GRAD(Rho)z -0.2865004E-15 Laplacian 0.7811409E+00 (-1/4)Del**2(Rho)) -0.1952852E+00 Diamond 0.2353202E+01 Metallicity 0.6532124E+01 Ellipticity 0.1650354E-01 Gb(Abramov) 0.3427947E+00 Vb(Abramov) -0.4903042E+00 Hb(Abramov) -0.1475095E+00 Ex_ueg -0.9204246E-01 Ec_ueg -0.1237315E-01 Delta_ex -0.9116418E-01 Delta_ec 0.1798190E-01 Delta_et -0.2475248E+00 Pxc 0.7438886E+01 Qxc -0.5069776E+01 3,-1 142 3 -1 0.041004 0.045846 -4.527362 Rho 0.2097502E+00 |GRAD(Rho)| 0.1581759E-12 GRAD(Rho)x -0.1419169E-13 GRAD(Rho)y -0.2111354E-13 GRAD(Rho)z 0.1561168E-12 Laplacian 0.7811409E+00 (-1/4)Del**2(Rho)) -0.1952852E+00 Diamond 0.2353202E+01 Metallicity 0.6532124E+01 Ellipticity 0.1650354E-01 Gb(Abramov) 0.3427947E+00 Vb(Abramov) -0.4903042E+00 Hb(Abramov) -0.1475095E+00 Ex_ueg -0.9204246E-01 Ec_ueg -0.1237315E-01 Delta_ex -0.9116418E-01 Delta_ec 0.1798190E-01 Delta_et -0.2475248E+00 Pxc 0.7438886E+01 Qxc -0.5069776E+01 3,-1 143 3 -1 0.237095 -0.410235 -2.445293 Rho 0.4788914E-01 |GRAD(Rho)| 0.8586229E-16 GRAD(Rho)x -0.2975013E-16 GRAD(Rho)y 0.1027567E-16 GRAD(Rho)z -0.7988537E-16 Laplacian 0.1789947E+00 (-1/4)Del**2(Rho)) -0.4474867E-01 Diamond 0.8590645E-01 Metallicity 0.2431279E+01 Ellipticity 0.1762448E-01 Gb(Abramov) 0.4796519E-01 Vb(Abramov) -0.5118172E-01 Hb(Abramov) -0.3216525E-02 Ex_ueg -0.1284402E-01 Ec_ueg -0.2298530E-02 Delta_ex -0.1458997E-01 Delta_ec 0.5362503E-02 Delta_et -0.5591793E-01 Pxc 0.5587930E+01 Qxc -0.2720739E+01 3,-1 144 3 -1 0.149039 -0.328828 -0.564450 Rho 0.1328346E+00 |GRAD(Rho)| 0.1367239E-15 GRAD(Rho)x -0.1138433E-15 GRAD(Rho)y 0.6571515E-16 GRAD(Rho)z 0.3761170E-16 Laplacian 0.6719194E+00 (-1/4)Del**2(Rho)) -0.1679798E+00 Diamond 0.1403542E+01 Metallicity 0.3546620E+01 Ellipticity 0.1162792E-01 Gb(Abramov) 0.2112800E+00 Vb(Abramov) -0.2545802E+00 Hb(Abramov) -0.4330018E-01 Ex_ueg -0.5005722E-01 Ec_ueg -0.7353912E-02 Delta_ex -0.7270834E-01 Delta_ec 0.2230604E-01 Delta_et -0.3007377E+00 Pxc 0.6806883E+01 Qxc -0.3259580E+01 3,-1 145 3 -1 0.149039 -0.328828 0.564450 Rho 0.1328346E+00 |GRAD(Rho)| 0.2169407E-15 GRAD(Rho)x -0.1708467E-15 GRAD(Rho)y 0.1289277E-15 GRAD(Rho)z -0.3538862E-16 Laplacian 0.6719194E+00 (-1/4)Del**2(Rho)) -0.1679798E+00 Diamond 0.1403542E+01 Metallicity 0.3546620E+01 Ellipticity 0.1162792E-01 Gb(Abramov) 0.2112800E+00 Vb(Abramov) -0.2545802E+00 Hb(Abramov) -0.4330018E-01 Ex_ueg -0.5005722E-01 Ec_ueg -0.7353912E-02 Delta_ex -0.7270834E-01 Delta_ec 0.2230604E-01 Delta_et -0.3007377E+00 Pxc 0.6806883E+01 Qxc -0.3259580E+01 3,-1 146 3 -1 0.137072 -1.119021 -3.559680 Rho 0.1184318E+00 |GRAD(Rho)| 0.6759286E-13 GRAD(Rho)x -0.1134301E-13 GRAD(Rho)y 0.6548848E-13 GRAD(Rho)z -0.1230405E-13 Laplacian 0.4473276E+00 (-1/4)Del**2(Rho)) -0.1118319E+00 Diamond 0.6877336E+00 Metallicity 0.4399819E+01 Ellipticity 0.3848884E-01 Gb(Abramov) 0.1565613E+00 Vb(Abramov) -0.2012907E+00 Hb(Abramov) -0.4472938E-01 Ex_ueg -0.4295459E-01 Ec_ueg -0.6454523E-02 Delta_ex -0.4544195E-01 Delta_ec 0.1214243E-01 Delta_et -0.1559176E+00 Pxc 0.6654960E+01 Qxc -0.3742410E+01 3,-1 147 3 -1 0.137072 -1.119021 3.559680 Rho 0.1184318E+00 |GRAD(Rho)| 0.6719810E-13 GRAD(Rho)x -0.1131569E-13 GRAD(Rho)y 0.6508575E-13 GRAD(Rho)z 0.1230382E-13 Laplacian 0.4473276E+00 (-1/4)Del**2(Rho)) -0.1118319E+00 Diamond 0.6877336E+00 Metallicity 0.4399819E+01 Ellipticity 0.3848884E-01 Gb(Abramov) 0.1565613E+00 Vb(Abramov) -0.2012907E+00 Hb(Abramov) -0.4472938E-01 Ex_ueg -0.4295459E-01 Ec_ueg -0.6454523E-02 Delta_ex -0.4544195E-01 Delta_ec 0.1214243E-01 Delta_et -0.1559176E+00 Pxc 0.6654960E+01 Qxc -0.3742410E+01 3,-1 148 3 -1 -0.956541 -0.178299 -3.454653 Rho 0.2145457E+00 |GRAD(Rho)| 0.8110615E-13 GRAD(Rho)x -0.3672426E-13 GRAD(Rho)y -0.1223306E-13 GRAD(Rho)z 0.7127334E-13 Laplacian 0.8272358E+00 (-1/4)Del**2(Rho)) -0.2068089E+00 Diamond 0.2534291E+01 Metallicity 0.6404969E+01 Ellipticity 0.1340820E-01 Gb(Abramov) 0.3586401E+00 Vb(Abramov) -0.5104713E+00 Hb(Abramov) -0.1518312E+00 Ex_ueg -0.9485894E-01 Ec_ueg -0.1269731E-01 Delta_ex -0.9694356E-01 Delta_ec 0.1863087E-01 Delta_et -0.2557302E+00 Pxc 0.7470791E+01 Qxc -0.5203384E+01 3,-1 149 3 -1 -0.783300 -0.002146 0.000000 Rho 0.1473282E+00 |GRAD(Rho)| 0.1181798E-14 GRAD(Rho)x 0.1043746E-14 GRAD(Rho)y 0.5542920E-15 GRAD(Rho)z -0.1196858E-17 Laplacian 0.7913581E+00 (-1/4)Del**2(Rho)) -0.1978395E+00 Diamond 0.1851932E+01 Metallicity 0.3578628E+01 Ellipticity 0.4629079E-03 Gb(Abramov) 0.2498920E+00 Vb(Abramov) -0.3019445E+00 Hb(Abramov) -0.5205249E-01 Ex_ueg -0.5746890E-01 Ec_ueg -0.8272700E-02 Delta_ex -0.8749247E-01 Delta_ec 0.2531418E-01 Delta_et -0.3476939E+00 Pxc 0.6946813E+01 Qxc -0.3456263E+01 3,-1 150 3 -1 -0.956541 -0.178299 3.454653 Rho 0.2145457E+00 |GRAD(Rho)| 0.1693232E-12 GRAD(Rho)x 0.1678287E-12 GRAD(Rho)y 0.1503349E-13 GRAD(Rho)z -0.1666977E-13 Laplacian 0.8272358E+00 (-1/4)Del**2(Rho)) -0.2068089E+00 Diamond 0.2534291E+01 Metallicity 0.6404969E+01 Ellipticity 0.1340820E-01 Gb(Abramov) 0.3586401E+00 Vb(Abramov) -0.5104713E+00 Hb(Abramov) -0.1518312E+00 Ex_ueg -0.9485894E-01 Ec_ueg -0.1269731E-01 Delta_ex -0.9694356E-01 Delta_ec 0.1863087E-01 Delta_et -0.2557302E+00 Pxc 0.7470791E+01 Qxc -0.5203384E+01 3,-1 151 3 +3 0.508000 3.336208 0.000000 Rho 0.1181331E-01 |GRAD(Rho)| 0.2712348E-16 GRAD(Rho)x -0.2243350E-16 GRAD(Rho)y -0.1523762E-16 GRAD(Rho)z -0.4862267E-18 Laplacian 0.5292072E-01 (-1/4)Del**2(Rho)) -0.1323018E-01 Diamond 0.1346251E-02 Metallicity 0.7978851E+00 Ellipticity -0.9068771E+00 Gb(Abramov) 0.1057948E-01 Vb(Abramov) -0.7928780E-02 Hb(Abramov) 0.2650699E-02 Ex_ueg -0.1987074E-02 Ec_ueg -0.4509578E-03 Delta_ex -0.2375387E-02 Delta_ec 0.3027448E-03 Delta_et -0.2559050E-02 Pxc 0.4406342E+01 Qxc -0.7846171E+01 3,+3 152 3 -1 0.428442 3.339608 -1.509646 Rho 0.1571485E+00 |GRAD(Rho)| 0.6396972E-13 GRAD(Rho)x -0.1739478E-13 GRAD(Rho)y -0.4565529E-13 GRAD(Rho)z -0.4129336E-13 Laplacian 0.6015506E+00 (-1/4)Del**2(Rho)) -0.1503876E+00 Diamond 0.1280276E+01 Metallicity 0.5242337E+01 Ellipticity 0.6356507E-01 Gb(Abramov) 0.2316556E+00 Vb(Abramov) -0.3129235E+00 Hb(Abramov) -0.8126791E-01 Ex_ueg -0.6263238E-01 Ec_ueg -0.8902683E-02 Delta_ex -0.6526367E-01 Delta_ec 0.1493773E-01 Delta_et -0.1997391E+00 Pxc 0.7035225E+01 Qxc -0.4369048E+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 71 118 62 121 70 117 142 95 125 96 126 133 140 64 113 138 110 114 93 143 107 148 132 146 122 105 87 89 85 86 141 130 150 108 147 131 68 61 119 69 135 120 63 137 112 111 109 92 94 97 124 139 152 127 144 149 49 48 116 145 101 50 47 51 52 104 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 15 16 18 19 21 21 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 36 45 46 36 36 20 23 28 46 45 27 2.302604 1.942087 1.753871 2.341190 1.939254 1.771472 1.768430 2.429779 1.921265 1.983426 1.966849 1.885634 1.755509 2.587015 1.944779 2.184501 1.810554 1.844619 1.765463 2.384866 1.915965 1.758856 2.203900 2.000075 1.769071 2.280786 1.823809 1.823809 2.110913 2.110913 1.768430 2.384866 1.758856 1.915965 2.000075 2.203900 2.302604 1.753871 1.942087 1.939254 2.341190 1.771472 2.587015 2.184501 1.944779 1.844619 1.810554 1.765463 2.429779 1.983426 1.921265 1.755509 1.885634 1.966849 1.672466 1.635158 1.458882 1.458882 1.681588 1.672466 3.236961 2.922945 2.922945 1.070836 1.070836 3.236961 2.303392 1.942640 1.753888 2.341713 1.939867 1.771524 1.768451 2.430427 1.922490 1.984031 1.967381 1.886321 1.755522 2.587500 1.945390 2.185161 1.810750 1.845135 1.765514 2.385794 1.916529 1.758937 2.204599 2.000744 1.769143 2.281393 1.824243 1.824243 2.111452 2.111451 1.768450 2.385793 1.758941 1.916528 2.000742 2.204598 2.303390 1.753889 1.942642 1.939866 2.341713 1.771527 2.587502 2.185196 1.945390 1.845135 1.810750 1.765512 2.430427 1.984032 1.922492 1.755524 1.886317 1.967382 1.672496 1.635180 1.460003 1.460002 1.681656 1.672495 3.243458 2.926432 2.926432 1.070947 1.070945 3.243458 27 23 21 27 23 22 21 27 23 23 23 25 22 29 23 25 23 22 26 27 23 22 27 23 23 30 23 23 26 27 21 27 22 23 23 27 27 21 24 23 27 23 29 26 23 22 23 23 27 23 23 21 23 23 23 20 23 24 21 22 35 31 31 19 17 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 Mo O Mo 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 Si O O O O O O O O H H 2.1910 -0.8192 2.2067 2.1771 2.1753 2.2725 2.1753 -0.8202 -0.8192 2.1910 2.1771 2.2067 -1.1328 -0.9989 -1.1507 -1.1328 -0.7741 -0.9353 -0.7640 -0.8888 -0.7863 -0.9453 -0.7863 -0.9530 -0.9353 -0.7741 -0.8888 -0.7640 -0.9200 -0.7970 -0.9240 -0.9614 -0.8863 -0.9304 -0.8863 1.9172 -0.8223 -0.9200 -0.9614 -0.9240 -0.8223 -0.8276 -0.7970 -0.8276 0.2933 0.2933 1.9523 1.9582 1.9516 1.9660 1.9779 1.9466 1.9779 1.9577 1.9582 1.9523 1.9660 1.9516 1.9040 1.8962 1.9021 1.9040 1.9682 1.9359 1.9672 1.9490 1.8858 1.9351 1.8858 1.9389 1.9359 1.9682 1.9490 1.9672 1.9477 1.9612 1.9451 1.9418 1.9554 1.9387 1.9554 2.3636 1.9573 1.9477 1.9418 1.9451 1.9573 1.9581 1.9612 1.9581 0.5138 0.5138 6.1299 4.8337 6.1281 6.1297 6.1295 6.0962 6.1295 4.8354 4.8337 6.1299 6.1297 6.1281 5.2026 5.0702 5.2204 5.2026 4.7764 4.9743 4.7674 4.9125 4.8727 4.9856 4.8727 4.9887 4.9743 4.7764 4.9125 4.7674 4.9463 4.8068 4.9532 4.9927 4.9029 4.9646 4.9029 7.1389 4.8381 4.9463 4.9927 4.9532 4.8381 4.8417 4.8068 4.8417 0.1929 0.1929 3.7268 0.0274 3.7135 3.7272 3.7173 3.6846 3.7173 0.0271 0.0274 3.7268 3.7272 3.7135 0.0262 0.0325 0.0281 0.0262 0.0295 0.0252 0.0293 0.0273 0.0277 0.0245 0.0277 0.0254 0.0252 0.0295 0.0273 0.0293 0.0260 0.0290 0.0257 0.0270 0.0279 0.0271 0.0279 0.5804 0.0269 0.0260 0.0270 0.0257 0.0269 0.0278 0.0290 0.0278 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 Mo O Mo 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 Si O O O O O O O O H H 3.141019 -1.100168 3.159260 3.144597 3.142383 3.159341 3.142383 -1.101879 -1.100168 3.141019 3.144597 3.159260 -1.176027 -0.762589 -1.185228 -1.176027 -1.059435 -1.227709 -1.047590 -1.177098 -0.817614 -1.241420 -0.817614 -1.233250 -1.227709 -1.059435 -1.177098 -1.047590 -1.202783 -1.079047 -1.199055 -1.226989 -1.172237 -1.223673 -1.172237 1.766215 -1.102776 -1.202783 -1.226989 -1.199055 -1.102776 -1.112440 -1.079047 -1.112440 0.024950 0.024950 2.354806 -0.906739 2.349296 2.347009 2.354150 2.357677 2.354150 -0.901643 -0.906739 2.354806 2.347009 2.349296 -0.878730 -0.760765 -0.868312 -0.878730 -0.859978 -0.933899 -0.852755 -0.931136 -0.892359 -0.928300 -0.892359 -0.912628 -0.933899 -0.859978 -0.931136 -0.852755 -0.993182 -0.856169 -0.986038 -0.996723 -0.973988 -0.982836 -0.973988 1.380751 -0.916106 -0.993182 -0.996723 -0.986038 -0.916106 -0.910063 -0.856169 -0.910063 0.290633 0.290633 2.434262 -0.877565 2.432165 2.425990 2.436625 2.436972 2.436625 -0.855352 -0.877565 2.434262 2.425990 2.432165 -0.915769 -0.798433 -0.913729 -0.915769 -0.863378 -1.018414 -0.869647 -0.989309 -0.982309 -1.045215 -0.982309 -0.998134 -1.018414 -0.863378 -0.989309 -0.869647 -1.001452 -0.830105 -1.029195 -1.080965 -0.974711 -1.034797 -0.974711 1.349220 -0.897532 -1.001452 -1.080965 -1.029195 -0.897532 -0.887055 -0.830105 -0.887055 0.418096 0.418096 -27.17952429 -0.03913402 0.00000000 27.17955246 74.44421055 20.69638518 0.00000000 -28.42571229 0.00000000 -46.01849826 -265.4792 350.8477 -77.0612 -320.6427 -80.0774 -392.4129 Mar01-2024 10:57:04 Nodes: 1 Procs: 1 Mar01-2024 10:57:04 Nodes: 1 Procs: 1 0 Mar01-2024 10:57:05 Nodes: 1 Procs: 1 Mar01-2024 10:57:05 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar01-2024 10:57:06 Nodes: 1 Procs: 1 Mar01-2024 10:57:06 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar01-2024 10:57:07 Nodes: 1 Procs: 1 Mar01-2024 10:57:07 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar01-2024 10:57:08 Nodes: 1 Procs: 24 *** (NO TITLE) *** -8 -14.38079665 -14.40513399 -14.40408000 -14.41438654 -14.41789657 -14.41929990 -14.42038418 -14.42083076 -14.42090208 -14.42094374 -14.42095240 -14.42092685 -14.42088745 -14.42091331 -14.42085384 -14.42086290 -14.42088731 -14.42090803 GEOMETRY CONVERGED