ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar07-2024 21:57:40 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.33 0.01 0.38 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 Mar07-2024 21:57:40 Nodes: 1 Procs: 1 Mar07-2024 21:57:40 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar07-2024 21:57:41 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.68 0.03 0.74 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Mar07-2024 21:57:40 Nodes: 1 Procs: 1 Mar07-2024 21:57:40 Nodes: 1 Procs: 1 0 Mar07-2024 21:57:41 Nodes: 1 Procs: 1 Mar07-2024 21:57:41 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar07-2024 21:57:42 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.62 0.04 0.69 1 2 3 4 5 1 2 3 4 1 2 3 2.000 2.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 -70.348 -4.706 1.094 14.838 117.594 -43.980 -0.956 23.495 177.742 -5.162 7.884 88.247 S S S S S P P P P D D D S P D S P S D S P D S P 1 1 1 2 2 3 2 4 3 3 5 4 2.00 6.00 3.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -70.3477 -43.9800 -5.1622 -4.7064 -0.9562 1.0935 7.8841 14.8384 23.4949 88.2471 117.5944 177.7416 1 V -0.0000 4.0000 6.0000 3.0000 0.0000 Mar07-2024 21:57:40 Nodes: 1 Procs: 1 Mar07-2024 21:57:40 Nodes: 1 Procs: 1 0 Mar07-2024 21:57:41 Nodes: 1 Procs: 1 Mar07-2024 21:57:41 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar07-2024 21:57:42 Nodes: 1 Procs: 1 Mar07-2024 21:57:42 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar07-2024 21:57:43 Hydrogen (TZP) kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.42 0.02 0.47 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Mar07-2024 21:57:40 Nodes: 1 Procs: 1 Mar07-2024 21:57:40 Nodes: 1 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(-1/4)Del**2(Rho)) -0.7508191E-02 Diamond 0.6945038E-03 Metallicity 0.7832521E+00 Ellipticity -0.1409371E+01 Gb(Abramov) 0.5985595E-02 Vb(Abramov) -0.4462999E-02 Hb(Abramov) 0.1522596E-02 Ex_ueg -0.1244396E-02 Ec_ueg -0.2923046E-03 Delta_ex -0.1325890E-02 Delta_ec 0.3609414E-03 Delta_et -0.2496416E-02 Pxc 0.4257190E+01 Qxc -0.3673421E+01 3,+1 49 3 +1 -1.171104 1.406207 0.636455 Rho 0.1197871E-01 |GRAD(Rho)| 0.2102101E-10 GRAD(Rho)x -0.1123366E-10 GRAD(Rho)y 0.1602291E-10 GRAD(Rho)z 0.7678155E-11 Laplacian 0.4607578E-01 (-1/4)Del**2(Rho)) -0.1151895E-01 Diamond 0.1950932E-02 Metallicity 0.9379012E+00 Ellipticity -0.1636823E+01 Gb(Abramov) 0.9479903E-02 Vb(Abramov) -0.7440860E-02 Hb(Abramov) 0.2039043E-02 Ex_ueg -0.2024254E-02 Ec_ueg -0.4585862E-03 Delta_ex -0.2295386E-02 Delta_ec 0.6545162E-03 Delta_et -0.4862226E-02 Pxc 0.4414119E+01 Qxc -0.3506997E+01 3,+1 50 3 +1 -1.802877 0.370419 1.705050 Rho 0.5268963E-02 |GRAD(Rho)| 0.5538975E-17 GRAD(Rho)x 0.1043574E-17 GRAD(Rho)y -0.4663942E-17 GRAD(Rho)z 0.2799793E-17 Laplacian 0.1914618E-01 (-1/4)Del**2(Rho)) -0.4786544E-02 Diamond 0.3648357E-03 Metallicity 0.5742129E+00 Ellipticity -0.1836768E+01 Gb(Abramov) 0.3649112E-02 Vb(Abramov) -0.2511680E-02 Hb(Abramov) 0.1137432E-02 Ex_ueg -0.6771505E-03 Ec_ueg -0.1585057E-03 Delta_ex -0.8627153E-03 Delta_ec 0.4262797E-03 Delta_et -0.2422722E-02 Pxc 0.4272090E+01 Qxc -0.2023825E+01 3,+1 51 3 +1 1.501033 -0.689553 -0.002718 Rho 0.7022400E-02 |GRAD(Rho)| 0.7704986E-15 GRAD(Rho)x 0.2806963E-15 GRAD(Rho)y -0.2855411E-16 GRAD(Rho)z 0.7169815E-15 Laplacian 0.2497434E-01 (-1/4)Del**2(Rho)) -0.6243586E-02 Diamond 0.4820243E-03 Metallicity 0.7105506E+00 Ellipticity -0.1412852E+01 Gb(Abramov) 0.4901788E-02 Vb(Abramov) -0.3559990E-02 Hb(Abramov) 0.1341798E-02 Ex_ueg -0.9931903E-03 Ec_ueg -0.2349569E-03 Delta_ex -0.1069498E-02 Delta_ec 0.3248415E-03 Delta_et -0.2129601E-02 Pxc 0.4227118E+01 Qxc -0.3292369E+01 3,+1 52 3 +1 -1.520869 1.096157 -2.471146 Rho 0.7654053E-02 |GRAD(Rho)| 0.5429968E-17 GRAD(Rho)x 0.2601561E-17 GRAD(Rho)y -0.4341202E-17 GRAD(Rho)z 0.1967333E-17 Laplacian 0.3290711E-01 (-1/4)Del**2(Rho)) -0.8226778E-02 Diamond 0.9551843E-03 Metallicity 0.6225045E+00 Ellipticity -0.1569401E+01 Gb(Abramov) 0.6338053E-02 Vb(Abramov) -0.4449328E-02 Hb(Abramov) 0.1888725E-02 Ex_ueg -0.1114056E-02 Ec_ueg -0.2628567E-03 Delta_ex -0.1567103E-02 Delta_ec 0.6545334E-03 Delta_et -0.4180439E-02 Pxc 0.4238264E+01 Qxc -0.2394229E+01 3,+1 53 3 +1 -1.805372 0.299433 -1.707381 Rho 0.5994150E-02 |GRAD(Rho)| 0.1866396E-17 GRAD(Rho)x 0.1449448E-18 GRAD(Rho)y 0.1837324E-17 GRAD(Rho)z 0.2943892E-18 Laplacian 0.2165191E-01 (-1/4)Del**2(Rho)) -0.5412977E-02 Diamond 0.4757421E-03 Metallicity 0.6295009E+00 Ellipticity -0.1899250E+01 Gb(Abramov) 0.4176564E-02 Vb(Abramov) -0.2940150E-02 Hb(Abramov) 0.1236413E-02 Ex_ueg -0.8041836E-03 Ec_ueg -0.1899429E-03 Delta_ex -0.9923973E-03 Delta_ec 0.4622325E-03 Delta_et -0.2737156E-02 Pxc 0.4233819E+01 Qxc -0.2146966E+01 3,+1 54 3 +1 -1.158525 1.425615 -0.681493 Rho 0.1096668E-01 |GRAD(Rho)| 0.1887134E-16 GRAD(Rho)x -0.1069260E-16 GRAD(Rho)y 0.6680926E-17 GRAD(Rho)z -0.1404141E-16 Laplacian 0.4159835E-01 (-1/4)Del**2(Rho)) -0.1039959E-01 Diamond 0.1574745E-02 Metallicity 0.8967316E+00 Ellipticity -0.1623447E+01 Gb(Abramov) 0.8487332E-02 Vb(Abramov) -0.6575076E-02 Hb(Abramov) 0.1912256E-02 Ex_ueg -0.1799501E-02 Ec_ueg -0.4120800E-03 Delta_ex -0.2029957E-02 Delta_ec 0.5989370E-03 Delta_et -0.4345396E-02 Pxc 0.4366872E+01 Qxc -0.3389267E+01 3,+1 55 3 +3 -1.053006 0.678035 1.730390 Rho 0.4071765E-02 |GRAD(Rho)| 0.1109679E-14 GRAD(Rho)x 0.3518942E-15 GRAD(Rho)y 0.2259097E-15 GRAD(Rho)z 0.1027873E-14 Laplacian 0.1458738E-01 (-1/4)Del**2(Rho)) -0.3646846E-02 Diamond 0.8132616E-04 Metallicity 0.4904639E+00 Ellipticity -0.3878387E+00 Gb(Abramov) 0.2729338E-02 Vb(Abramov) -0.1811831E-02 Hb(Abramov) 0.9175076E-03 Ex_ueg -0.4802073E-03 Ec_ueg -0.1071884E-03 Delta_ex -0.4816078E-03 Delta_ec 0.7383571E-04 Delta_et -0.5355521E-03 Pxc 0.4480029E+01 Qxc -0.6522695E+01 3,+3 56 3 -1 -1.934014 1.000755 2.359832 Rho 0.7899668E-02 |GRAD(Rho)| 0.2780329E-16 GRAD(Rho)x -0.1975176E-17 GRAD(Rho)y 0.2206903E-16 GRAD(Rho)z -0.1679523E-16 Laplacian 0.3100691E-01 (-1/4)Del**2(Rho)) -0.7751727E-02 Diamond 0.1688517E-02 Metallicity 0.6963637E+00 Ellipticity 0.2021879E+00 Gb(Abramov) 0.6067488E-02 Vb(Abramov) -0.4383250E-02 Hb(Abramov) 0.1684239E-02 Ex_ueg -0.1161975E-02 Ec_ueg -0.2737551E-03 Delta_ex -0.1865574E-02 Delta_ec 0.1291664E-02 Delta_et -0.7925139E-02 Pxc 0.4244579E+01 Qxc -0.1444319E+01 3,-1 57 3 +1 1.392193 0.614062 0.925201 Rho 0.6384555E-02 |GRAD(Rho)| 0.1471001E-16 GRAD(Rho)x -0.1182889E-16 GRAD(Rho)y 0.5872043E-17 GRAD(Rho)z -0.6479257E-17 Laplacian 0.2301159E-01 (-1/4)Del**2(Rho)) -0.5752897E-02 Diamond 0.4152160E-03 Metallicity 0.6579873E+00 Ellipticity -0.1427360E+01 Gb(Abramov) 0.4466154E-02 Vb(Abramov) -0.3179410E-02 Hb(Abramov) 0.1286744E-02 Ex_ueg -0.8747673E-03 Ec_ueg -0.2069739E-03 Delta_ex -0.9789578E-03 Delta_ec 0.3292358E-03 Delta_et -0.2078134E-02 Pxc 0.4226461E+01 Qxc -0.2973424E+01 3,+1 58 3 -1 -1.930725 0.896086 -2.331867 Rho 0.8478057E-02 |GRAD(Rho)| 0.1308600E-16 GRAD(Rho)x 0.2753823E-17 GRAD(Rho)y -0.1190937E-16 GRAD(Rho)z -0.4671900E-17 Laplacian 0.3344642E-01 (-1/4)Del**2(Rho)) -0.8361605E-02 Diamond 0.1891595E-02 Metallicity 0.7262576E+00 Ellipticity 0.3491757E+00 Gb(Abramov) 0.6586517E-02 Vb(Abramov) -0.4811428E-02 Hb(Abramov) 0.1775088E-02 Ex_ueg -0.1276772E-02 Ec_ueg -0.2995273E-03 Delta_ex -0.1988023E-02 Delta_ec 0.1301880E-02 Delta_et -0.8187403E-02 Pxc 0.4262624E+01 Qxc -0.1527040E+01 3,-1 59 3 -1 0.546750 -1.860259 -1.688942 Rho 0.4159765E-01 |GRAD(Rho)| 0.7407221E-13 GRAD(Rho)x -0.6024829E-13 GRAD(Rho)y 0.3982449E-13 GRAD(Rho)z 0.1645743E-13 Laplacian 0.1670398E+00 (-1/4)Del**2(Rho)) -0.4175995E-01 Diamond 0.6624601E-01 Metallicity 0.2060193E+01 Ellipticity 0.4094516E-01 Gb(Abramov) 0.4217889E-01 Vb(Abramov) -0.4259783E-01 Hb(Abramov) -0.4189396E-03 Ex_ueg -0.1064495E-01 Ec_ueg -0.1955978E-02 Delta_ex -0.1314808E-01 Delta_ec 0.5013926E-02 Delta_et -0.5036162E-01 Pxc 0.5442261E+01 Qxc -0.2622313E+01 3,-1 60 3 +1 -0.502664 -3.150286 0.070559 Rho 0.1436650E-01 |GRAD(Rho)| 0.2109904E-16 GRAD(Rho)x -0.3701533E-17 GRAD(Rho)y 0.3886253E-17 GRAD(Rho)z 0.2040503E-16 Laplacian 0.6387510E-01 (-1/4)Del**2(Rho)) -0.1596878E-01 Diamond 0.3404194E-02 Metallicity 0.9159389E+00 Ellipticity -0.1497711E+01 Gb(Abramov) 0.1308359E-01 Vb(Abramov) -0.1019840E-01 Hb(Abramov) 0.2885188E-02 Ex_ueg -0.2579406E-02 Ec_ueg -0.5698880E-03 Delta_ex -0.3322359E-02 Delta_ec 0.8806442E-03 Delta_et -0.6862384E-02 Pxc 0.4526162E+01 Qxc -0.3772646E+01 3,+1 61 3 +1 -1.421143 -0.109016 1.640854 Rho 0.5567170E-02 |GRAD(Rho)| 0.1558675E-16 GRAD(Rho)x -0.1344336E-17 GRAD(Rho)y 0.1610699E-17 GRAD(Rho)z -0.1544490E-16 Laplacian 0.1984086E-01 (-1/4)Del**2(Rho)) -0.4960214E-02 Diamond 0.4569252E-03 Metallicity 0.6073564E+00 Ellipticity -0.2796636E+01 Gb(Abramov) 0.3808912E-02 Vb(Abramov) -0.2657611E-02 Hb(Abramov) 0.1151302E-02 Ex_ueg -0.7287262E-03 Ec_ueg -0.1714015E-03 Delta_ex -0.9447877E-03 Delta_ec 0.5131631E-03 Delta_et -0.2922721E-02 Pxc 0.4251574E+01 Qxc -0.1841106E+01 3,+1 62 3 -1 -0.351622 -3.103185 -1.624593 Rho 0.1315533E+00 |GRAD(Rho)| 0.8005822E-16 GRAD(Rho)x -0.5800482E-17 GRAD(Rho)y 0.4643519E-16 GRAD(Rho)z -0.6495726E-16 Laplacian 0.4875280E+00 (-1/4)Del**2(Rho)) -0.1218820E+00 Diamond 0.8537236E+00 Metallicity 0.4809685E+01 Ellipticity 0.1182379E+00 Gb(Abramov) 0.1789570E+00 Vb(Abramov) -0.2360320E+00 Hb(Abramov) -0.5707501E-01 Ex_ueg -0.4941447E-01 Ec_ueg -0.7273338E-02 Delta_ex -0.5082508E-01 Delta_ec 0.1298032E-01 Delta_et -0.1698211E+00 Pxc 0.6793920E+01 Qxc -0.3915549E+01 3,-1 63 3 -1 -0.531428 -3.113814 1.600226 Rho 0.2068949E+00 |GRAD(Rho)| 0.5968134E-13 GRAD(Rho)x -0.2993802E-13 GRAD(Rho)y 0.4562577E-13 GRAD(Rho)z -0.2416332E-13 Laplacian 0.7828332E+00 (-1/4)Del**2(Rho)) -0.1957083E+00 Diamond 0.2307506E+01 Metallicity 0.6370792E+01 Ellipticity 0.1374072E-01 Gb(Abramov) 0.3382750E+00 Vb(Abramov) -0.4808417E+00 Hb(Abramov) -0.1425667E+00 Ex_ueg -0.9037563E-01 Ec_ueg -0.1218075E-01 Delta_ex -0.9096123E-01 Delta_ec 0.1794786E-01 Delta_et -0.2463018E+00 Pxc 0.7419547E+01 Qxc -0.5068084E+01 3,-1 64 3 -1 -0.743020 3.925281 -2.261477 Rho 0.2259486E+00 |GRAD(Rho)| 0.3087094E-15 GRAD(Rho)x -0.3805550E-16 GRAD(Rho)y 0.2116363E-15 GRAD(Rho)z -0.2215025E-15 Laplacian 0.8292342E+00 (-1/4)Del**2(Rho)) -0.2073085E+00 Diamond 0.2726951E+01 Metallicity 0.6965496E+01 Ellipticity 0.2616680E-02 Gb(Abramov) 0.3788735E+00 Vb(Abramov) -0.5504384E+00 Hb(Abramov) -0.1715649E+00 Ex_ueg -0.1016400E+00 Ec_ueg -0.1347319E-01 Delta_ex -0.9862480E-01 Delta_ec 0.1863988E-01 Delta_et -0.2575227E+00 Pxc 0.7543869E+01 Qxc -0.5291064E+01 3,-1 65 3 -1 -0.711886 3.686928 -0.768150 Rho 0.1636180E+00 |GRAD(Rho)| 0.5715846E-15 GRAD(Rho)x -0.9283481E-16 GRAD(Rho)y 0.9818806E-16 GRAD(Rho)z 0.5553826E-15 Laplacian 0.6235056E+00 (-1/4)Del**2(Rho)) -0.1558764E+00 Diamond 0.1394003E+01 Metallicity 0.5409510E+01 Ellipticity 0.7402871E-01 Gb(Abramov) 0.2444534E+00 Vb(Abramov) -0.3330305E+00 Hb(Abramov) -0.8857703E-01 Ex_ueg -0.6609367E-01 Ec_ueg -0.9320886E-02 Delta_ex -0.6833706E-01 Delta_ec 0.1534246E-01 Delta_et -0.2062318E+00 Pxc 0.7090921E+01 Qxc -0.4454114E+01 3,-1 66 3 -1 -0.663167 3.600980 0.847865 Rho 0.8964769E-01 |GRAD(Rho)| 0.8496553E-16 GRAD(Rho)x -0.1783004E-17 GRAD(Rho)y -0.1619527E-16 GRAD(Rho)z -0.8338870E-16 Laplacian 0.3433321E+00 (-1/4)Del**2(Rho)) -0.8583303E-01 Diamond 0.3698269E+00 Metallicity 0.3604104E+01 Ellipticity 0.2520452E-01 Gb(Abramov) 0.1087805E+00 Vb(Abramov) -0.1317281E+00 Hb(Abramov) -0.2294751E-01 Ex_ueg -0.2963265E-01 Ec_ueg -0.4702336E-02 Delta_ex -0.3253718E-01 Delta_ec 0.9648368E-02 Delta_et -0.1170394E+00 Pxc 0.6301688E+01 Qxc -0.3372299E+01 3,-1 67 3 +1 -1.829317 2.512964 -0.030688 Rho 0.6756127E-02 |GRAD(Rho)| 0.9287332E-16 GRAD(Rho)x 0.5990872E-16 GRAD(Rho)y 0.7094899E-16 GRAD(Rho)z -0.1624704E-17 Laplacian 0.2835329E-01 (-1/4)Del**2(Rho)) -0.7088323E-02 Diamond 0.7003465E-03 Metallicity 0.5868214E+00 Ellipticity -0.1523555E+01 Gb(Abramov) 0.5418812E-02 Vb(Abramov) -0.3749301E-02 Hb(Abramov) 0.1669511E-02 Ex_ueg -0.9432977E-03 Ec_ueg -0.2232517E-03 Delta_ex -0.1315047E-02 Delta_ec 0.5698126E-03 Delta_et -0.3511039E-02 Pxc 0.4225266E+01 Qxc -0.2307859E+01 3,+1 68 3 +3 -1.534537 2.066306 -0.036312 Rho 0.6235172E-02 |GRAD(Rho)| 0.4342940E-14 GRAD(Rho)x 0.3993860E-14 GRAD(Rho)y -0.1645037E-14 GRAD(Rho)z -0.4517315E-15 Laplacian 0.2633815E-01 (-1/4)Del**2(Rho)) -0.6584538E-02 Diamond 0.3550220E-03 Metallicity 0.5526394E+00 Ellipticity -0.7457155E+00 Gb(Abramov) 0.4996172E-02 Vb(Abramov) -0.3407805E-02 Hb(Abramov) 0.1588367E-02 Ex_ueg -0.8475844E-03 Ec_ueg -0.2004485E-03 Delta_ex -0.1041223E-02 Delta_ec 0.2469027E-03 Delta_et -0.1660818E-02 Pxc 0.4228440E+01 Qxc -0.4217140E+01 3,+3 69 3 -1 -0.663301 3.806994 2.365310 Rho 0.2260602E+00 |GRAD(Rho)| 0.9206307E-13 GRAD(Rho)x 0.2388695E-13 GRAD(Rho)y -0.6983986E-13 GRAD(Rho)z -0.5502196E-13 Laplacian 0.8357352E+00 (-1/4)Del**2(Rho)) -0.2089338E+00 Diamond 0.2747721E+01 Metallicity 0.6917002E+01 Ellipticity 0.7706562E-02 Gb(Abramov) 0.3801551E+00 Vb(Abramov) -0.5513764E+00 Hb(Abramov) -0.1712213E+00 Ex_ueg -0.1017069E+00 Ec_ueg -0.1348082E-01 Delta_ex -0.9939781E-01 Delta_ec 0.1876026E-01 Delta_et -0.2590977E+00 Pxc 0.7544565E+01 Qxc -0.5298317E+01 3,-1 70 3 -1 -0.095304 2.359053 0.888094 Rho 0.4782859E-01 |GRAD(Rho)| 0.7968690E-16 GRAD(Rho)x 0.6024818E-16 GRAD(Rho)y -0.5082155E-16 GRAD(Rho)z 0.1171870E-16 Laplacian 0.1893684E+00 (-1/4)Del**2(Rho)) -0.4734209E-01 Diamond 0.9044685E-01 Metallicity 0.2293251E+01 Ellipticity 0.2594604E-01 Gb(Abramov) 0.4965595E-01 Vb(Abramov) -0.5196980E-01 Hb(Abramov) -0.2313855E-02 Ex_ueg -0.1282237E-01 Ec_ueg -0.2295202E-02 Delta_ex -0.1541774E-01 Delta_ec 0.5650305E-02 Delta_et -0.5889372E-01 Pxc 0.5586599E+01 Qxc -0.2728657E+01 3,-1 71 3 -1 -0.138470 2.437732 -0.787522 Rho 0.4206419E-01 |GRAD(Rho)| 0.5813782E-14 GRAD(Rho)x 0.3165944E-14 GRAD(Rho)y 0.4549753E-14 GRAD(Rho)z -0.1754027E-14 Laplacian 0.1679504E+00 (-1/4)Del**2(Rho)) -0.4198759E-01 Diamond 0.6737654E-01 Metallicity 0.2087468E+01 Ellipticity 0.1553021E-01 Gb(Abramov) 0.4259968E-01 Vb(Abramov) -0.4321178E-01 Hb(Abramov) -0.6120928E-03 Ex_ueg -0.1080443E-01 Ec_ueg -0.1981152E-02 Delta_ex -0.1324293E-01 Delta_ec 0.5016831E-02 Delta_et -0.5053830E-01 Pxc 0.5453610E+01 Qxc -0.2639700E+01 3,-1 72 3 -1 -1.377262 2.708248 -1.614453 Rho 0.1307479E+00 |GRAD(Rho)| 0.3881284E-15 GRAD(Rho)x 0.3845530E-15 GRAD(Rho)y 0.5250927E-16 GRAD(Rho)z -0.2333152E-17 Laplacian 0.4967679E+00 (-1/4)Del**2(Rho)) -0.1241920E+00 Diamond 0.8568092E+00 Metallicity 0.4672156E+01 Ellipticity 0.1030572E+00 Gb(Abramov) 0.1795020E+00 Vb(Abramov) -0.2348121E+00 Hb(Abramov) -0.5531006E-01 Ex_ueg -0.4901149E-01 Ec_ueg -0.7222742E-02 Delta_ex -0.5163176E-01 Delta_ec 0.1310256E-01 Delta_et -0.1709827E+00 Pxc 0.6785718E+01 Qxc -0.3940585E+01 3,-1 73 3 -1 0.184754 -0.377225 -2.449915 Rho 0.5729620E-01 |GRAD(Rho)| 0.3671964E-16 GRAD(Rho)x -0.2388633E-16 GRAD(Rho)y 0.3423919E-17 GRAD(Rho)z -0.2767765E-16 Laplacian 0.2236307E+00 (-1/4)Del**2(Rho)) -0.5590768E-01 Diamond 0.1379714E+00 Metallicity 0.2623965E+01 Ellipticity 0.3491175E-02 Gb(Abramov) 0.6172176E-01 Vb(Abramov) -0.6753583E-01 Hb(Abramov) -0.5814074E-02 Ex_ueg -0.1631371E-01 Ec_ueg -0.2821981E-02 Delta_ex -0.1910864E-01 Delta_ec 0.6755564E-02 Delta_et -0.7382661E-01 Pxc 0.5780944E+01 Qxc -0.2828579E+01 3,-1 74 3 +3 1.103273 1.127708 -1.618345 Rho 0.4293992E-02 |GRAD(Rho)| 0.8025539E-15 GRAD(Rho)x -0.3735454E-15 GRAD(Rho)y 0.1834941E-15 GRAD(Rho)z 0.6862117E-15 Laplacian 0.1719517E-01 (-1/4)Del**2(Rho)) -0.4298793E-02 Diamond 0.1302824E-03 Metallicity 0.4546133E+00 Ellipticity -0.3859570E+00 Gb(Abramov) 0.3191576E-02 Vb(Abramov) -0.2084360E-02 Hb(Abramov) 0.1107216E-02 Ex_ueg -0.5154661E-03 Ec_ueg -0.1166581E-03 Delta_ex -0.6069022E-03 Delta_ec 0.1423058E-03 Delta_et -0.9018825E-03 Pxc 0.4418606E+01 Qxc -0.4264774E+01 3,+3 75 3 +1 1.378030 0.703507 -0.912089 Rho 0.6653377E-02 |GRAD(Rho)| 0.6364997E-17 GRAD(Rho)x -0.3604287E-17 GRAD(Rho)y -0.5244597E-17 GRAD(Rho)z -0.1284631E-18 Laplacian 0.2412455E-01 (-1/4)Del**2(Rho)) -0.6031138E-02 Diamond 0.4394808E-03 Metallicity 0.6722912E+00 Ellipticity -0.1388723E+01 Gb(Abramov) 0.4696539E-02 Vb(Abramov) -0.3361940E-02 Hb(Abramov) 0.1334599E-02 Ex_ueg -0.9242182E-03 Ec_ueg -0.2187438E-03 Delta_ex -0.1023515E-02 Delta_ec 0.3215060E-03 Delta_et -0.2071597E-02 Pxc 0.4225117E+01 Qxc -0.3183502E+01 3,+1 76 3 -1 0.424557 -1.904113 1.600879 Rho 0.5088970E-01 |GRAD(Rho)| 0.9042259E-13 GRAD(Rho)x 0.1044175E-13 GRAD(Rho)y 0.1512362E-13 GRAD(Rho)z -0.8853525E-13 Laplacian 0.2005732E+00 (-1/4)Del**2(Rho)) -0.5014329E-01 Diamond 0.1051592E+00 Metallicity 0.2400989E+01 Ellipticity 0.1629590E-01 Gb(Abramov) 0.5349444E-01 Vb(Abramov) -0.5684560E-01 Hb(Abramov) -0.3351152E-02 Ex_ueg -0.1392809E-01 Ec_ueg -0.2464112E-02 Delta_ex -0.1662596E-01 Delta_ec 0.6051840E-02 Delta_et -0.6413248E-01 Pxc 0.5652377E+01 Qxc -0.2747258E+01 3,-1 77 3 +1 0.133588 0.877800 1.574520 Rho 0.8035701E-02 |GRAD(Rho)| 0.1189450E-16 GRAD(Rho)x -0.2713925E-17 GRAD(Rho)y 0.1049601E-16 GRAD(Rho)z 0.4893627E-17 Laplacian 0.2894891E-01 (-1/4)Del**2(Rho)) -0.7237228E-02 Diamond 0.6452956E-03 Metallicity 0.7673978E+00 Ellipticity -0.1409419E+01 Gb(Abramov) 0.5750457E-02 Vb(Abramov) -0.4263687E-02 Hb(Abramov) 0.1486770E-02 Ex_ueg -0.1188731E-02 Ec_ueg -0.2798030E-03 Delta_ex -0.1269951E-02 Delta_ec 0.3536350E-03 Delta_et -0.2419692E-02 Pxc 0.4248456E+01 Qxc -0.3591135E+01 3,+1 78 3 -1 0.011916 0.802553 3.271514 Rho 0.9367269E-01 |GRAD(Rho)| 0.1287197E-12 GRAD(Rho)x -0.1007259E-12 GRAD(Rho)y -0.7957947E-13 GRAD(Rho)z 0.9496354E-14 Laplacian 0.3822695E+00 (-1/4)Del**2(Rho)) -0.9556738E-01 Diamond 0.4406446E+00 Metallicity 0.3482826E+01 Ellipticity 0.1069839E-01 Gb(Abramov) 0.1191857E+00 Vb(Abramov) -0.1428040E+00 Hb(Abramov) -0.2361830E-01 Ex_ueg -0.3141973E-01 Ec_ueg -0.4943387E-02 Delta_ex -0.3671678E-01 Delta_ec 0.1085537E-01 Delta_et -0.1331190E+00 Pxc 0.6355910E+01 Qxc -0.3382361E+01 3,-1 79 3 -1 -0.042170 -0.050741 4.565770 Rho 0.2186100E+00 |GRAD(Rho)| 0.8343646E-13 GRAD(Rho)x -0.7067708E-13 GRAD(Rho)y -0.4962786E-14 GRAD(Rho)z -0.4406545E-13 Laplacian 0.8122447E+00 (-1/4)Del**2(Rho)) -0.2030612E+00 Diamond 0.2566312E+01 Metallicity 0.6730434E+01 Ellipticity 0.1864348E-01 Gb(Abramov) 0.3631558E+00 Vb(Abramov) -0.5232503E+00 Hb(Abramov) -0.1600946E+00 Ex_ueg -0.9726244E-01 Ec_ueg -0.1297303E-01 Delta_ex -0.9577736E-01 Delta_ec 0.1842322E-01 Delta_et -0.2540450E+00 Pxc 0.7497279E+01 Qxc -0.5198730E+01 3,-1 80 3 -1 -0.035057 0.898241 -3.216227 Rho 0.1609614E+00 |GRAD(Rho)| 0.3743869E-15 GRAD(Rho)x 0.4708487E-16 GRAD(Rho)y 0.3188910E-15 GRAD(Rho)z 0.1904130E-15 Laplacian 0.6518205E+00 (-1/4)Del**2(Rho)) -0.1629551E+00 Diamond 0.1409639E+01 Metallicity 0.5035254E+01 Ellipticity 0.2963301E-01 Gb(Abramov) 0.2453902E+00 Vb(Abramov) -0.3278252E+00 Hb(Abramov) -0.8243503E-01 Ex_ueg -0.6466670E-01 Ec_ueg -0.9148854E-02 Delta_ex -0.7097505E-01 Delta_ec 0.1579398E-01 Delta_et -0.2110705E+00 Pxc 0.7068284E+01 Qxc -0.4493805E+01 3,-1 81 3 -1 1.323990 -0.472391 -2.384744 Rho 0.2511515E-01 |GRAD(Rho)| 0.3120081E-16 GRAD(Rho)x 0.2547650E-16 GRAD(Rho)y 0.8966793E-17 GRAD(Rho)z -0.1562164E-16 Laplacian 0.9881690E-01 (-1/4)Del**2(Rho)) -0.2470422E-01 Diamond 0.1502579E-01 Metallicity 0.1502017E+01 Ellipticity 0.7500849E+02 Gb(Abramov) 0.2265384E-01 Vb(Abramov) -0.2060346E-01 Hb(Abramov) 0.2050381E-02 Ex_ueg -0.5432078E-02 Ec_ueg -0.1094513E-02 Delta_ex -0.6371426E-02 Delta_ec 0.2066069E-02 Delta_et -0.1816908E-01 Pxc 0.4963008E+01 Qxc -0.3083839E+01 3,-1 82 3 -1 0.013674 0.845814 0.015268 Rho 0.1739887E+00 |GRAD(Rho)| 0.2004796E-12 GRAD(Rho)x -0.6488809E-13 GRAD(Rho)y -0.1894554E-12 GRAD(Rho)z 0.9393859E-14 Laplacian 0.7131177E+00 (-1/4)Del**2(Rho)) -0.1782794E+00 Diamond 0.2030591E+01 Metallicity 0.5239867E+01 Ellipticity 0.9052028E-02 Gb(Abramov) 0.2745464E+00 Vb(Abramov) -0.3708133E+00 Hb(Abramov) -0.9626693E-01 Ex_ueg -0.7173752E-01 Ec_ueg -0.9996433E-02 Delta_ex -0.8193636E-01 Delta_ec 0.2185463E-01 Delta_et -0.3090254E+00 Pxc 0.7176312E+01 Qxc -0.3749154E+01 3,-1 83 3 -1 0.745019 -3.954179 -2.264399 Rho 0.2247397E+00 |GRAD(Rho)| 0.3841726E-10 GRAD(Rho)x 0.5220969E-11 GRAD(Rho)y -0.3611312E-10 GRAD(Rho)z -0.1201955E-10 Laplacian 0.8197105E+00 (-1/4)Del**2(Rho)) -0.2049276E+00 Diamond 0.2685059E+01 Metallicity 0.6983703E+01 Ellipticity 0.2502383E-02 Gb(Abramov) 0.3751440E+00 Vb(Abramov) -0.5453604E+00 Hb(Abramov) -0.1702164E+00 Ex_ueg -0.1009156E+00 Ec_ueg -0.1339060E-01 Delta_ex -0.9739590E-01 Delta_ec 0.1852449E-01 Delta_et -0.2561442E+00 Pxc 0.7536301E+01 Qxc -0.5257683E+01 3,-1 84 3 -1 0.564932 -3.944871 2.176809 Rho 0.2183898E+00 |GRAD(Rho)| 0.1353241E-10 GRAD(Rho)x -0.2592477E-11 GRAD(Rho)y 0.1222604E-10 GRAD(Rho)z -0.5189326E-11 Laplacian 0.8088214E+00 (-1/4)Del**2(Rho)) -0.2022053E+00 Diamond 0.2553635E+01 Metallicity 0.6747574E+01 Ellipticity 0.1067976E-01 Gb(Abramov) 0.3622028E+00 Vb(Abramov) -0.5222003E+00 Hb(Abramov) -0.1599975E+00 Ex_ueg -0.9713179E-01 Ec_ueg -0.1295807E-01 Delta_ex -0.9535631E-01 Delta_ec 0.1836415E-01 Delta_et -0.2532677E+00 Pxc 0.7495856E+01 Qxc -0.5192526E+01 3,-1 85 3 +1 -1.232391 -1.779522 0.068423 Rho 0.3657388E-02 |GRAD(Rho)| 0.1426854E-11 GRAD(Rho)x -0.1044539E-12 GRAD(Rho)y -0.1005195E-11 GRAD(Rho)z 0.1007265E-11 Laplacian 0.1212428E-01 (-1/4)Del**2(Rho)) -0.3031069E-02 Diamond 0.1117024E-03 Metallicity 0.4934491E+00 Ellipticity -0.1246881E+01 Gb(Abramov) 0.2269992E-02 Vb(Abramov) -0.1508916E-02 Hb(Abramov) 0.7610766E-03 Ex_ueg -0.4161786E-03 Ec_ueg -0.8960031E-04 Delta_ex -0.4639620E-03 Delta_ec 0.1954357E-03 Delta_et -0.1043020E-02 Pxc 0.4644834E+01 Qxc -0.2373988E+01 3,+1 86 3 -1 0.791026 -3.159443 -0.920750 Rho 0.1048615E+00 |GRAD(Rho)| 0.1918146E-15 GRAD(Rho)x -0.1250221E-17 GRAD(Rho)y -0.4028192E-16 GRAD(Rho)z 0.1875331E-15 Laplacian 0.4267382E+00 (-1/4)Del**2(Rho)) -0.1066845E+00 Diamond 0.5567737E+00 Metallicity 0.3765408E+01 Ellipticity 0.1389390E-01 Gb(Abramov) 0.1380748E+00 Vb(Abramov) -0.1694651E+00 Hb(Abramov) -0.3139029E-01 Ex_ueg -0.3652078E-01 Ec_ueg -0.5620476E-02 Delta_ex -0.4196641E-01 Delta_ec 0.1162462E-01 Delta_et -0.1455495E+00 Pxc 0.6497809E+01 Qxc -0.3610132E+01 3,-1 87 3 +1 -1.383587 -0.131171 -1.635248 Rho 0.6159981E-02 |GRAD(Rho)| 0.4748596E-17 GRAD(Rho)x 0.4532976E-17 GRAD(Rho)y -0.1097033E-17 GRAD(Rho)z 0.8932033E-18 Laplacian 0.2208013E-01 (-1/4)Del**2(Rho)) -0.5520032E-02 Diamond 0.5279069E-03 Metallicity 0.6460170E+00 Ellipticity -0.2217220E+01 Gb(Abramov) 0.4274360E-02 Vb(Abramov) -0.3028689E-02 Hb(Abramov) 0.1245672E-02 Ex_ueg -0.8339837E-03 Ec_ueg -0.1971681E-03 Delta_ex -0.1035460E-02 Delta_ec 0.5021799E-03 Delta_et -0.2979038E-02 Pxc 0.4229811E+01 Qxc -0.2061931E+01 3,+1 88 3 -1 0.688853 -3.170075 0.864625 Rho 0.1493737E+00 |GRAD(Rho)| 0.1933470E-12 GRAD(Rho)x -0.1854645E-12 GRAD(Rho)y 0.4052849E-14 GRAD(Rho)z 0.5449360E-13 Laplacian 0.6043106E+00 (-1/4)Del**2(Rho)) -0.1510776E+00 Diamond 0.1204391E+01 Metallicity 0.4795236E+01 Ellipticity 0.1236028E-01 Gb(Abramov) 0.2214606E+00 Vb(Abramov) -0.2918435E+00 Hb(Abramov) -0.7038294E-01 Ex_ueg -0.5853523E-01 Ec_ueg -0.8403435E-02 Delta_ex -0.6468927E-01 Delta_ec 0.1509641E-01 Delta_et -0.2002674E+00 Pxc 0.6965631E+01 Qxc -0.4285077E+01 3,-1 89 3 +1 1.399381 1.744785 -2.007158 Rho 0.5429855E-02 |GRAD(Rho)| 0.6258100E-14 GRAD(Rho)x -0.6179086E-15 GRAD(Rho)y 0.5713158E-14 GRAD(Rho)z 0.2478272E-14 Laplacian 0.2241713E-01 (-1/4)Del**2(Rho)) -0.5604283E-02 Diamond 0.5307789E-03 Metallicity 0.5156403E+00 Ellipticity -0.2133987E+01 Gb(Abramov) 0.4217821E-02 Vb(Abramov) -0.2831359E-02 Hb(Abramov) 0.1386462E-02 Ex_ueg -0.7048597E-03 Ec_ueg -0.1654579E-03 Delta_ex -0.1088206E-02 Delta_ec 0.6267337E-03 Delta_et -0.3520659E-02 Pxc 0.4260056E+01 Qxc -0.1736314E+01 3,+1 90 3 +1 0.946680 2.564078 -0.582081 Rho 0.2600599E-01 |GRAD(Rho)| 0.3216839E-16 GRAD(Rho)x -0.3023249E-16 GRAD(Rho)y -0.7740990E-17 GRAD(Rho)z -0.7802476E-17 Laplacian 0.1000422E+00 (-1/4)Del**2(Rho)) -0.2501056E-01 Diamond 0.1370370E-01 Metallicity 0.1572360E+01 Ellipticity -0.3925348E+01 Gb(Abramov) 0.2322797E-01 Vb(Abramov) -0.2144539E-01 Hb(Abramov) 0.1782586E-02 Ex_ueg -0.5690488E-02 Ec_ueg -0.1139496E-02 Delta_ex -0.6276632E-02 Delta_ec 0.1677202E-02 Delta_et -0.1495223E-01 Pxc 0.4993863E+01 Qxc -0.3742323E+01 3,+1 91 3 +1 0.998161 2.564590 0.545779 Rho 0.2738655E-01 |GRAD(Rho)| 0.1417361E-13 GRAD(Rho)x 0.1371955E-13 GRAD(Rho)y 0.2299854E-14 GRAD(Rho)z -0.2715847E-14 Laplacian 0.1052059E+00 (-1/4)Del**2(Rho)) -0.2630147E-01 Diamond 0.1463389E-01 Metallicity 0.1629804E+01 Ellipticity -0.3242981E+01 Gb(Abramov) 0.2467869E-01 Vb(Abramov) -0.2305590E-01 Hb(Abramov) 0.1622784E-02 Ex_ueg -0.6096793E-02 Ec_ueg -0.1209608E-02 Delta_ex -0.6612043E-02 Delta_ec 0.1619269E-02 Delta_et -0.1464074E-01 Pxc 0.5040305E+01 Qxc -0.4083352E+01 3,+1 92 3 +1 2.930632 0.590618 -0.046296 Rho 0.1242054E-01 |GRAD(Rho)| 0.1130705E-13 GRAD(Rho)x -0.9804976E-15 GRAD(Rho)y 0.1083780E-13 GRAD(Rho)z 0.3070839E-14 Laplacian 0.6062037E-01 (-1/4)Del**2(Rho)) -0.1515509E-01 Diamond 0.2528703E-02 Metallicity 0.7572321E+00 Ellipticity -0.1293889E+01 Gb(Abramov) 0.1201605E-01 Vb(Abramov) -0.8877005E-02 Hb(Abramov) 0.3139044E-02 Ex_ueg -0.2124415E-02 Ec_ueg -0.4790175E-03 Delta_ex -0.3002053E-02 Delta_ec 0.7780329E-03 Delta_et -0.5889875E-02 Pxc 0.4434942E+01 Qxc -0.3858517E+01 3,+1 93 3 +1 1.576325 -1.431220 -1.754669 Rho 0.2184241E-01 |GRAD(Rho)| 0.1183781E-13 GRAD(Rho)x 0.1099893E-13 GRAD(Rho)y -0.2732189E-14 GRAD(Rho)z -0.3419414E-14 Laplacian 0.7999757E-01 (-1/4)Del**2(Rho)) -0.1999939E-01 Diamond 0.8399038E-02 Metallicity 0.1470181E+01 Ellipticity -0.3329901E+01 Gb(Abramov) 0.1823338E-01 Vb(Abramov) -0.1646737E-01 Hb(Abramov) 0.1766011E-02 Ex_ueg -0.4509404E-02 Ec_ueg -0.9310877E-03 Delta_ex -0.4762253E-02 Delta_ec 0.1290178E-02 Delta_et -0.1103652E-01 Pxc 0.4843158E+01 Qxc -0.3691160E+01 3,+1 94 3 +1 2.040406 -2.055886 -0.263796 Rho 0.5626657E-02 |GRAD(Rho)| 0.1778549E-16 GRAD(Rho)x 0.9543735E-17 GRAD(Rho)y 0.9781649E-17 GRAD(Rho)z -0.1138244E-16 Laplacian 0.2354638E-01 (-1/4)Del**2(Rho)) -0.5886595E-02 Diamond 0.5846057E-03 Metallicity 0.5209225E+00 Ellipticity -0.2125471E+01 Gb(Abramov) 0.4435473E-02 Vb(Abramov) -0.2984351E-02 Hb(Abramov) 0.1451122E-02 Ex_ueg -0.7391269E-03 Ec_ueg -0.1739793E-03 Delta_ex -0.1151121E-02 Delta_ec 0.6579000E-03 Delta_et -0.3735041E-02 Pxc 0.4248361E+01 Qxc -0.1749690E+01 3,+1 95 3 +1 2.028280 -2.042589 0.331629 Rho 0.5636789E-02 |GRAD(Rho)| 0.2145919E-16 GRAD(Rho)x -0.1241213E-16 GRAD(Rho)y -0.1747930E-16 GRAD(Rho)z 0.9539907E-18 Laplacian 0.2325937E-01 (-1/4)Del**2(Rho)) -0.5814842E-02 Diamond 0.5684034E-03 Metallicity 0.5289341E+00 Ellipticity -0.2135547E+01 Gb(Abramov) 0.4389173E-02 Vb(Abramov) -0.2963504E-02 Hb(Abramov) 0.1425669E-02 Ex_ueg -0.7409020E-03 Ec_ueg -0.1744185E-03 Delta_ex -0.1129217E-02 Delta_ec 0.6350768E-03 Delta_et -0.3614030E-02 Pxc 0.4247840E+01 Qxc -0.1778079E+01 3,+1 96 3 +1 1.405726 -1.483482 -2.827107 Rho 0.1143420E-01 |GRAD(Rho)| 0.2525473E-15 GRAD(Rho)x -0.1178637E-15 GRAD(Rho)y 0.9487064E-16 GRAD(Rho)z 0.2022074E-15 Laplacian 0.5131723E-01 (-1/4)Del**2(Rho)) -0.1282931E-01 Diamond 0.1485169E-02 Metallicity 0.7792792E+00 Ellipticity -0.1072120E+01 Gb(Abramov) 0.1021914E-01 Vb(Abramov) -0.7608973E-02 Hb(Abramov) 0.2610167E-02 Ex_ueg -0.1902507E-02 Ec_ueg -0.4335132E-03 Delta_ex -0.2355180E-02 Delta_ec 0.4243227E-03 Delta_et -0.3334708E-02 Pxc 0.4388579E+01 Qxc -0.5550444E+01 3,+1 97 3 -1 2.703420 -1.585830 -1.978955 Rho 0.1331499E+00 |GRAD(Rho)| 0.5108291E-15 GRAD(Rho)x 0.1802351E-15 GRAD(Rho)y 0.4779299E-15 GRAD(Rho)z -0.6689019E-17 Laplacian 0.5162656E+00 (-1/4)Del**2(Rho)) -0.1290664E+00 Diamond 0.9051259E+00 Metallicity 0.4634199E+01 Ellipticity 0.4237051E-01 Gb(Abramov) 0.1857308E+00 Vb(Abramov) -0.2423953E+00 Hb(Abramov) -0.5666443E-01 Ex_ueg -0.5021570E-01 Ec_ueg -0.7373755E-02 Delta_ex -0.5383607E-01 Delta_ec 0.1345334E-01 Delta_et -0.1758756E+00 Pxc 0.6810058E+01 Qxc -0.4001687E+01 3,-1 98 3 -1 2.719167 -1.644704 2.049163 Rho 0.1841413E+00 |GRAD(Rho)| 0.6500771E-13 GRAD(Rho)x -0.5861174E-13 GRAD(Rho)y -0.2484444E-13 GRAD(Rho)z -0.1316893E-13 Laplacian 0.6978380E+00 (-1/4)Del**2(Rho)) -0.1744595E+00 Diamond 0.1799052E+01 Metallicity 0.5885418E+01 Ellipticity 0.5737540E-01 Gb(Abramov) 0.2874342E+00 Vb(Abramov) -0.4004089E+00 Hb(Abramov) -0.1129747E+00 Ex_ueg -0.7737252E-01 Ec_ueg -0.1066382E-01 Delta_ex -0.7879317E-01 Delta_ec 0.1666253E-01 Delta_et -0.2269367E+00 Pxc 0.7255612E+01 Qxc -0.4728764E+01 3,-1 99 3 +1 1.419035 -1.472862 2.835659 Rho 0.1107319E-01 |GRAD(Rho)| 0.3121261E-16 GRAD(Rho)x 0.1328777E-16 GRAD(Rho)y -0.2071460E-16 GRAD(Rho)z -0.1919811E-16 Laplacian 0.4873786E-01 (-1/4)Del**2(Rho)) -0.1218446E-01 Diamond 0.1318583E-02 Metallicity 0.7777999E+00 Ellipticity -0.1059680E+01 Gb(Abramov) 0.9702489E-02 Vb(Abramov) -0.7220513E-02 Hb(Abramov) 0.2481976E-02 Ex_ueg -0.1822840E-02 Ec_ueg -0.4169550E-03 Delta_ex -0.2207058E-02 Delta_ec 0.3853003E-03 Delta_et -0.3030476E-02 Pxc 0.4371792E+01 Qxc -0.5728149E+01 3,+1 100 3 -1 2.919875 0.400001 -1.624642 Rho 0.1149391E+00 |GRAD(Rho)| 0.1218302E-14 GRAD(Rho)x 0.3400329E-16 GRAD(Rho)y -0.1186713E-14 GRAD(Rho)z -0.2735239E-15 Laplacian 0.4710761E+00 (-1/4)Del**2(Rho)) -0.1177690E+00 Diamond 0.6911124E+00 Metallicity 0.3974678E+01 Ellipticity 0.1315350E-01 Gb(Abramov) 0.1565283E+00 Vb(Abramov) -0.1952877E+00 Hb(Abramov) -0.3875931E-01 Ex_ueg -0.4127391E-01 Ec_ueg -0.6238577E-02 Delta_ex -0.4740935E-01 Delta_ec 0.1268492E-01 Delta_et -0.1617173E+00 Pxc 0.6615917E+01 Qxc -0.3737459E+01 3,-1 101 3 -1 -1.329176 2.655968 1.642729 Rho 0.1332321E+00 |GRAD(Rho)| 0.3755334E-15 GRAD(Rho)x -0.3499127E-15 GRAD(Rho)y -0.1308903E-15 GRAD(Rho)z -0.3813342E-16 Laplacian 0.5005137E+00 (-1/4)Del**2(Rho)) -0.1251284E+00 Diamond 0.8865279E+00 Metallicity 0.4784965E+01 Ellipticity 0.9953843E-01 Gb(Abramov) 0.1832081E+00 Vb(Abramov) -0.2412879E+00 Hb(Abramov) -0.5807972E-01 Ex_ueg -0.5025705E-01 Ec_ueg -0.7378932E-02 Delta_ex -0.5229888E-01 Delta_ec 0.1321522E-01 Delta_et -0.1731175E+00 Pxc 0.6810884E+01 Qxc -0.3957472E+01 3,-1 102 3 -1 1.486731 -2.749179 1.985636 Rho 0.6591596E-01 |GRAD(Rho)| 0.5267776E-16 GRAD(Rho)x -0.3401515E-16 GRAD(Rho)y -0.3491639E-16 GRAD(Rho)z 0.1996901E-16 Laplacian 0.2624080E+00 (-1/4)Del**2(Rho)) -0.6560200E-01 Diamond 0.1939876E+00 Metallicity 0.2824579E+01 Ellipticity 0.3500817E-02 Gb(Abramov) 0.7461767E-01 Vb(Abramov) -0.8363334E-01 Hb(Abramov) -0.9015668E-02 Ex_ueg -0.1966554E-01 Ec_ueg -0.3311902E-02 Delta_ex -0.2318117E-01 Delta_ec 0.7818353E-02 Delta_et -0.8847204E-01 Pxc 0.5937837E+01 Qxc -0.2964968E+01 3,-1 103 3 +3 -0.931413 -1.787175 0.029528 Rho 0.3625010E-02 |GRAD(Rho)| 0.6333063E-16 GRAD(Rho)x 0.2347552E-16 GRAD(Rho)y -0.4648856E-16 GRAD(Rho)z 0.3603448E-16 Laplacian 0.1189510E-01 (-1/4)Del**2(Rho)) -0.2973774E-02 Diamond 0.8004725E-04 Metallicity 0.4955572E+00 Ellipticity -0.8143158E+00 Gb(Abramov) 0.2228129E-02 Vb(Abramov) -0.1482483E-02 Hb(Abramov) 0.7456456E-03 Ex_ueg -0.4112734E-03 Ec_ueg -0.8822990E-04 Delta_ex -0.4140231E-03 Delta_ec 0.1198618E-03 Delta_et -0.6962051E-03 Pxc 0.4661384E+01 Qxc -0.3454170E+01 3,+3 104 3 +1 -1.488050 1.173385 2.491920 Rho 0.6956966E-02 |GRAD(Rho)| 0.2661725E-16 GRAD(Rho)x 0.2359205E-16 GRAD(Rho)y 0.1168409E-16 GRAD(Rho)z 0.3921117E-17 Laplacian 0.3103512E-01 (-1/4)Del**2(Rho)) -0.7758779E-02 Diamond 0.8054930E-03 Metallicity 0.5629367E+00 Ellipticity -0.1492749E+01 Gb(Abramov) 0.5900470E-02 Vb(Abramov) -0.4042160E-02 Hb(Abramov) 0.1858309E-02 Ex_ueg -0.9808703E-03 Ec_ueg -0.2320773E-03 Delta_ex -0.1453884E-02 Delta_ec 0.6321500E-03 Delta_et -0.3922205E-02 Pxc 0.4226480E+01 Qxc -0.2299903E+01 3,+1 105 3 +3 -1.045468 0.681163 -1.703135 Rho 0.4653544E-02 |GRAD(Rho)| 0.3942502E-12 GRAD(Rho)x 0.1584394E-12 GRAD(Rho)y 0.1991369E-12 GRAD(Rho)z 0.3011224E-12 Laplacian 0.1624273E-01 (-1/4)Del**2(Rho)) -0.4060683E-02 Diamond 0.1105260E-03 Metallicity 0.5502928E+00 Ellipticity -0.6114229E+00 Gb(Abramov) 0.3079549E-02 Vb(Abramov) -0.2098416E-02 Hb(Abramov) 0.9811336E-03 Ex_ueg -0.5738039E-03 Ec_ueg -0.1320340E-03 Delta_ex -0.5580104E-03 Delta_ec 0.8562967E-04 Delta_et -0.6285330E-03 Pxc 0.4345880E+01 Qxc -0.6516554E+01 3,+3 106 3 -1 -0.223514 2.452376 -2.314995 Rho 0.8945421E-01 |GRAD(Rho)| 0.6522828E-14 GRAD(Rho)x -0.1281930E-14 GRAD(Rho)y 0.5433699E-14 GRAD(Rho)z 0.3373255E-14 Laplacian 0.3591824E+00 (-1/4)Del**2(Rho)) -0.8979559E-01 Diamond 0.3866160E+00 Metallicity 0.3432676E+01 Ellipticity 0.8253771E-02 Gb(Abramov) 0.1112369E+00 Vb(Abramov) -0.1326782E+00 Hb(Abramov) -0.2144133E-01 Ex_ueg -0.2954741E-01 Ec_ueg -0.4690784E-02 Delta_ex -0.3403675E-01 Delta_ec 0.1012417E-01 Delta_et -0.1227818E+00 Pxc 0.6299035E+01 Qxc -0.3361930E+01 3,-1 107 3 +3 1.154043 0.988543 1.695061 Rho 0.4068533E-02 |GRAD(Rho)| 0.2929835E-17 GRAD(Rho)x -0.2877258E-17 GRAD(Rho)y 0.1476124E-18 GRAD(Rho)z 0.5324785E-18 Laplacian 0.1629912E-01 (-1/4)Del**2(Rho)) -0.4074780E-02 Diamond 0.1164665E-03 Metallicity 0.4383745E+00 Ellipticity -0.4992361E+00 Gb(Abramov) 0.3014234E-02 Vb(Abramov) -0.1953687E-02 Hb(Abramov) 0.1060547E-02 Ex_ueg -0.4796990E-03 Ec_ueg -0.1070509E-03 Delta_ex -0.5694141E-03 Delta_ec 0.1385766E-03 Delta_et -0.8614559E-03 Pxc 0.4481038E+01 Qxc -0.4109021E+01 3,+3 108 3 +1 1.521092 1.292134 2.240241 Rho 0.5097517E-02 |GRAD(Rho)| 0.5894204E-16 GRAD(Rho)x 0.6969986E-17 GRAD(Rho)y -0.5405301E-16 GRAD(Rho)z 0.2244673E-16 Laplacian 0.2050515E-01 (-1/4)Del**2(Rho)) -0.5126288E-02 Diamond 0.4372128E-03 Metallicity 0.5073971E+00 Ellipticity -0.2017905E+01 Gb(Abramov) 0.3851036E-02 Vb(Abramov) -0.2575784E-02 Hb(Abramov) 0.1275252E-02 Ex_ueg -0.6479329E-03 Ec_ueg -0.1511118E-03 Delta_ex -0.9748484E-03 Delta_ec 0.5591724E-03 Delta_et -0.3089342E-02 Pxc 0.4287772E+01 Qxc -0.1743377E+01 3,+1 109 3 +1 1.492151 1.184485 -2.301244 Rho 0.5360500E-02 |GRAD(Rho)| 0.7111683E-17 GRAD(Rho)x -0.5743503E-17 GRAD(Rho)y 0.3383322E-17 GRAD(Rho)z -0.2478173E-17 Laplacian 0.2196809E-01 (-1/4)Del**2(Rho)) -0.5492022E-02 Diamond 0.4860323E-03 Metallicity 0.5150266E+00 Ellipticity -0.1907700E+01 Gb(Abramov) 0.4132771E-02 Vb(Abramov) -0.2773520E-02 Hb(Abramov) 0.1359251E-02 Ex_ueg -0.6928812E-03 Ec_ueg -0.1624594E-03 Delta_ex -0.1042310E-02 Delta_ec 0.5761186E-03 Delta_et -0.3241229E-02 Pxc 0.4264949E+01 Qxc -0.1809193E+01 3,+1 110 3 -1 1.440401 1.496167 -2.136195 Rho 0.5518502E-02 |GRAD(Rho)| 0.1742971E-16 GRAD(Rho)x -0.1487283E-16 GRAD(Rho)y 0.8048298E-18 GRAD(Rho)z -0.9052407E-17 Laplacian 0.2176580E-01 (-1/4)Del**2(Rho)) -0.5441449E-02 Diamond 0.6993593E-03 Metallicity 0.5455995E+00 Ellipticity 0.1410552E+01 Gb(Abramov) 0.4122441E-02 Vb(Abramov) -0.2803433E-02 Hb(Abramov) 0.1319008E-02 Ex_ueg -0.7202445E-03 Ec_ueg -0.1692938E-03 Delta_ex -0.1200625E-02 Delta_ec 0.8594610E-03 Delta_et -0.4738303E-02 Pxc 0.4254405E+01 Qxc -0.1396951E+01 3,-1 111 3 -1 1.323764 2.086273 0.004622 Rho 0.4372459E-01 |GRAD(Rho)| 0.6771259E-16 GRAD(Rho)x -0.6558491E-16 GRAD(Rho)y -0.1683986E-16 GRAD(Rho)z 0.1804643E-18 Laplacian 0.1719132E+00 (-1/4)Del**2(Rho)) -0.4297830E-01 Diamond 0.7339150E-01 Metallicity 0.2175272E+01 Ellipticity 0.5871340E-02 Gb(Abramov) 0.4423378E-01 Vb(Abramov) -0.4548926E-01 Hb(Abramov) -0.1255479E-02 Ex_ueg -0.1137678E-01 Ec_ueg -0.2071047E-02 Delta_ex -0.1372263E-01 Delta_ec 0.5198070E-02 Delta_et -0.5291991E-01 Pxc 0.5493250E+01 Qxc -0.2639947E+01 3,-1 112 3 +3 1.503852 -1.559335 -0.046203 Rho 0.4521953E-02 |GRAD(Rho)| 0.6259593E-17 GRAD(Rho)x -0.3481044E-17 GRAD(Rho)y -0.3776290E-17 GRAD(Rho)z 0.3578334E-17 Laplacian 0.1775508E-01 (-1/4)Del**2(Rho)) -0.4438770E-02 Diamond 0.1396225E-03 Metallicity 0.4799181E+00 Ellipticity -0.3989026E+00 Gb(Abramov) 0.3314221E-02 Vb(Abramov) -0.2189672E-02 Hb(Abramov) 0.1124549E-02 Ex_ueg -0.5522720E-03 Ec_ueg -0.1263988E-03 Delta_ex -0.6301159E-03 Delta_ec 0.1380447E-03 Delta_et -0.8992918E-03 Pxc 0.4369281E+01 Qxc -0.4564579E+01 3,+3 113 3 -1 1.590753 -2.744192 -2.004264 Rho 0.1306779E+00 |GRAD(Rho)| 0.7311988E-16 GRAD(Rho)x -0.6475397E-16 GRAD(Rho)y -0.5542984E-17 GRAD(Rho)z -0.3350693E-16 Laplacian 0.5172761E+00 (-1/4)Del**2(Rho)) -0.1293190E+00 Diamond 0.8827423E+00 Metallicity 0.4482922E+01 Ellipticity 0.4592738E-01 Gb(Abramov) 0.1828338E+00 Vb(Abramov) -0.2363487E+00 Hb(Abramov) -0.5351483E-01 Ex_ueg -0.4897653E-01 Ec_ueg -0.7218350E-02 Delta_ex -0.5365021E-01 Delta_ec 0.1345572E-01 Delta_et -0.1752220E+00 Pxc 0.6785004E+01 Qxc -0.3987167E+01 3,-1 114 3 +3 1.696558 0.323639 -0.000512 Rho 0.4158781E-02 |GRAD(Rho)| 0.8846377E-15 GRAD(Rho)x 0.8369437E-15 GRAD(Rho)y -0.2610115E-15 GRAD(Rho)z -0.1182465E-15 Laplacian 0.1451881E-01 (-1/4)Del**2(Rho)) -0.3629703E-02 Diamond 0.8808077E-04 Metallicity 0.5104566E+00 Ellipticity -0.4916721E+00 Gb(Abramov) 0.2728603E-02 Vb(Abramov) -0.1827503E-02 Hb(Abramov) 0.9010999E-03 Ex_ueg -0.4939388E-03 Ec_ueg -0.1108933E-03 Delta_ex -0.4877598E-03 Delta_ec 0.8359863E-04 Delta_et -0.5830163E-03 Pxc 0.4454181E+01 Qxc -0.5834544E+01 3,+3 115 3 -1 2.020486 -2.033359 0.037241 Rho 0.5728610E-02 |GRAD(Rho)| 0.7218439E-17 GRAD(Rho)x 0.6258587E-17 GRAD(Rho)y 0.3505611E-17 GRAD(Rho)z 0.8041321E-18 Laplacian 0.2290815E-01 (-1/4)Del**2(Rho)) -0.5727038E-02 Diamond 0.7592993E-03 Metallicity 0.5517027E+00 Ellipticity 0.1664640E+01 Gb(Abramov) 0.4344629E-02 Vb(Abramov) -0.2962220E-02 Hb(Abramov) 0.1382409E-02 Ex_ueg -0.7570375E-03 Ec_ueg -0.1784014E-03 Delta_ex -0.1260839E-02 Delta_ec 0.8843049E-03 Delta_et -0.4937759E-02 Pxc 0.4243451E+01 Qxc -0.1425797E+01 3,-1 116 3 +1 1.419215 -1.673437 1.775940 Rho 0.2118102E-01 |GRAD(Rho)| 0.1995534E-16 GRAD(Rho)x -0.7237485E-17 GRAD(Rho)y 0.1761115E-16 GRAD(Rho)z -0.5973444E-17 Laplacian 0.7766681E-01 (-1/4)Del**2(Rho)) -0.1941670E-01 Diamond 0.8371288E-02 Metallicity 0.1438652E+01 Ellipticity -0.4483366E+01 Gb(Abramov) 0.1760012E-01 Vb(Abramov) -0.1578353E-01 Hb(Abramov) 0.1816586E-02 Ex_ueg -0.4328269E-02 Ec_ueg -0.8984267E-03 Delta_ex -0.4660933E-02 Delta_ec 0.1386779E-02 Delta_et -0.1172570E-01 Pxc 0.4817610E+01 Qxc -0.3360976E+01 3,+1 117 3 +3 1.389323 -1.451176 2.783408 Rho 0.1107033E-01 |GRAD(Rho)| 0.1495150E-16 GRAD(Rho)x 0.8157304E-17 GRAD(Rho)y 0.1090940E-16 GRAD(Rho)z 0.6163667E-17 Laplacian 0.4846796E-01 (-1/4)Del**2(Rho)) -0.1211699E-01 Diamond 0.1184003E-02 Metallicity 0.7817944E+00 Ellipticity -0.9309528E+00 Gb(Abramov) 0.9656825E-02 Vb(Abramov) -0.7196661E-02 Hb(Abramov) 0.2460164E-02 Ex_ueg -0.1822212E-02 Ec_ueg -0.4168240E-03 Delta_ex -0.2153873E-02 Delta_ec 0.3103137E-03 Delta_et -0.2536252E-02 Pxc 0.4371660E+01 Qxc -0.6940953E+01 3,+3 118 3 -1 3.061767 -0.738473 -0.899437 Rho 0.1303751E+00 |GRAD(Rho)| 0.2256736E-14 GRAD(Rho)x 0.1345207E-15 GRAD(Rho)y 0.1489219E-15 GRAD(Rho)z 0.2247795E-14 Laplacian 0.5570296E+00 (-1/4)Del**2(Rho)) -0.1392574E+00 Diamond 0.9375994E+00 Metallicity 0.4146925E+01 Ellipticity 0.8435056E-02 Gb(Abramov) 0.1890866E+00 Vb(Abramov) -0.2389158E+00 Hb(Abramov) -0.4982921E-01 Ex_ueg -0.4882529E-01 Ec_ueg -0.7199342E-02 Delta_ex -0.5761680E-01 Delta_ec 0.1427624E-01 Delta_et -0.1854195E+00 Pxc 0.6781909E+01 Qxc -0.4035851E+01 3,-1 119 3 -1 2.489099 -0.399695 -2.724472 Rho 0.1746794E+00 |GRAD(Rho)| 0.2980230E-15 GRAD(Rho)x 0.1238430E-15 GRAD(Rho)y 0.5497583E-16 GRAD(Rho)z -0.2654398E-15 Laplacian 0.6707430E+00 (-1/4)Del**2(Rho)) -0.1676857E+00 Diamond 0.1617871E+01 Metallicity 0.5607809E+01 Ellipticity 0.6296079E-01 Gb(Abramov) 0.2685154E+00 Vb(Abramov) -0.3693451E+00 Hb(Abramov) -0.1008297E+00 Ex_ueg -0.7211750E-01 Ec_ueg -0.1004165E-01 Delta_ex -0.7469194E-01 Delta_ec 0.1616506E-01 Delta_et -0.2187475E+00 Pxc 0.7181838E+01 Qxc -0.4620578E+01 3,-1 120 3 -1 1.706766 -0.656822 -1.671643 Rho 0.3126989E-01 |GRAD(Rho)| 0.3290410E-14 GRAD(Rho)x 0.2466309E-14 GRAD(Rho)y -0.2178050E-14 GRAD(Rho)z 0.1468665E-16 Laplacian 0.1217930E+00 (-1/4)Del**2(Rho)) -0.3044826E-01 Diamond 0.3172529E-01 Metallicity 0.1756041E+01 Ellipticity 0.1143687E+00 Gb(Abramov) 0.2921024E-01 Vb(Abramov) -0.2797222E-01 Hb(Abramov) 0.1238018E-02 Ex_ueg -0.7275904E-02 Ec_ueg -0.1409294E-02 Delta_ex -0.8854206E-02 Delta_ec 0.3511820E-02 Delta_et -0.3263209E-01 Pxc 0.5162800E+01 Qxc -0.2521258E+01 3,-1 121 3 -1 1.691577 -0.751359 1.675085 Rho 0.2994846E-01 |GRAD(Rho)| 0.1193622E-16 GRAD(Rho)x -0.8919151E-17 GRAD(Rho)y -0.5245250E-17 GRAD(Rho)z 0.5950592E-17 Laplacian 0.1167087E+00 (-1/4)Del**2(Rho)) -0.2917717E-01 Diamond 0.2884474E-01 Metallicity 0.1705300E+01 Ellipticity 0.6358607E-01 Gb(Abramov) 0.2774409E-01 Vb(Abramov) -0.2631100E-01 Hb(Abramov) 0.1433086E-02 Ex_ueg -0.6868855E-02 Ec_ueg -0.1340949E-02 Delta_ex -0.8410693E-02 Delta_ec 0.3393097E-02 Delta_et -0.3115434E-01 Pxc 0.5122384E+01 Qxc -0.2478766E+01 3,-1 122 3 +1 1.306972 -0.474612 2.367740 Rho 0.2332948E-01 |GRAD(Rho)| 0.6699877E-17 GRAD(Rho)x 0.4516365E-17 GRAD(Rho)y -0.3338421E-17 GRAD(Rho)z 0.3653184E-17 Laplacian 0.8988837E-01 (-1/4)Del**2(Rho)) -0.2247209E-01 Diamond 0.1207709E-01 Metallicity 0.1460219E+01 Ellipticity -0.1837153E+02 Gb(Abramov) 0.2045043E-01 Vb(Abramov) -0.1842876E-01 Hb(Abramov) 0.2021667E-02 Ex_ueg -0.4923324E-02 Ec_ueg -0.1004979E-02 Delta_ex -0.5653790E-02 Delta_ec 0.1820482E-02 Delta_et -0.1571642E-01 Pxc 0.4898931E+01 Qxc -0.3105656E+01 3,+1 123 3 -1 2.484462 -0.375819 2.720458 Rho 0.1704485E+00 |GRAD(Rho)| 0.4333062E-13 GRAD(Rho)x -0.3513195E-13 GRAD(Rho)y -0.2257741E-13 GRAD(Rho)z -0.1155635E-13 Laplacian 0.6421732E+00 (-1/4)Del**2(Rho)) -0.1605433E+00 Diamond 0.1512558E+01 Metallicity 0.5622759E+01 Ellipticity 0.4695752E-01 Gb(Abramov) 0.2574782E+00 Vb(Abramov) -0.3544132E+00 Hb(Abramov) -0.9693495E-01 Ex_ueg -0.6979792E-01 Ec_ueg -0.9765116E-02 Delta_ex -0.7114365E-01 Delta_ec 0.1570411E-01 Delta_et -0.2122979E+00 Pxc 0.7147680E+01 Qxc -0.4530257E+01 3,-1 124 3 -1 3.057097 -0.791421 0.921695 Rho 0.1260434E+00 |GRAD(Rho)| 0.3686993E-12 GRAD(Rho)x -0.4520625E-13 GRAD(Rho)y 0.8860023E-14 GRAD(Rho)z 0.3658101E-12 Laplacian 0.5249874E+00 (-1/4)Del**2(Rho)) -0.1312468E+00 Diamond 0.8566636E+00 Metallicity 0.4159086E+01 Ellipticity 0.1579451E-01 Gb(Abramov) 0.1784757E+00 Vb(Abramov) -0.2257046E+00 Hb(Abramov) -0.4722887E-01 Ex_ueg -0.4667438E-01 Ec_ueg -0.6928083E-02 Delta_ex -0.5396298E-01 Delta_ec 0.1374786E-01 Delta_et -0.1779311E+00 Pxc 0.6736984E+01 Qxc -0.3925191E+01 3,-1 125 3 -1 3.884161 -0.649074 -2.194098 Rho 0.2256895E+00 |GRAD(Rho)| 0.1377347E-13 GRAD(Rho)x -0.1309109E-13 GRAD(Rho)y 0.1917337E-14 GRAD(Rho)z -0.3828264E-14 Laplacian 0.8063895E+00 (-1/4)Del**2(Rho)) -0.2015974E+00 Diamond 0.2667409E+01 Metallicity 0.7149142E+01 Ellipticity 0.9891856E-02 Gb(Abramov) 0.3746063E+00 Vb(Abramov) -0.5476153E+00 Hb(Abramov) -0.1730089E+00 Ex_ueg -0.1014846E+00 Ec_ueg -0.1345548E-01 Delta_ex -0.9599041E-01 Delta_ec 0.1833084E-01 Delta_et -0.2540487E+00 Pxc 0.7542251E+01 Qxc -0.5236554E+01 3,-1 126 3 -1 -1.631612 -0.047679 1.642830 Rho 0.5608048E-02 |GRAD(Rho)| 0.5539322E-17 GRAD(Rho)x -0.1316466E-18 GRAD(Rho)y -0.7291763E-18 GRAD(Rho)z -0.5489541E-17 Laplacian 0.2013146E-01 (-1/4)Del**2(Rho)) -0.5032865E-02 Diamond 0.5924020E-03 Metallicity 0.6059324E+00 Ellipticity 0.1220455E+01 Gb(Abramov) 0.3863506E-02 Vb(Abramov) -0.2694147E-02 Hb(Abramov) 0.1169359E-02 Ex_ueg -0.7358694E-03 Ec_ueg -0.1731727E-03 Delta_ex -0.1059051E-02 Delta_ec 0.6973594E-03 Delta_et -0.3894612E-02 Pxc 0.4249338E+01 Qxc -0.1518659E+01 3,-1 127 3 -1 -2.033286 0.939846 0.686572 Rho 0.3528650E-01 |GRAD(Rho)| 0.6164959E-16 GRAD(Rho)x 0.1324033E-16 GRAD(Rho)y -0.5158764E-16 GRAD(Rho)z -0.3104965E-16 Laplacian 0.1044487E+00 (-1/4)Del**2(Rho)) -0.2611217E-01 Diamond 0.4786366E-01 Metallicity 0.2504519E+01 Ellipticity 0.3432621E-01 Gb(Abramov) 0.2830786E-01 Vb(Abramov) -0.3050354E-01 Hb(Abramov) -0.2195683E-02 Ex_ueg -0.8547973E-02 Ec_ueg -0.1619378E-02 Delta_ex -0.8905917E-02 Delta_ec 0.4944058E-02 Delta_et -0.4755584E-01 Pxc 0.5278553E+01 Qxc -0.1801337E+01 3,-1 128 3 -1 -2.027644 0.899935 -0.780468 Rho 0.3362519E-01 |GRAD(Rho)| 0.6396745E-16 GRAD(Rho)x 0.1747681E-16 GRAD(Rho)y -0.4110578E-16 GRAD(Rho)z 0.4578986E-16 Laplacian 0.1021817E+00 (-1/4)Del**2(Rho)) -0.2554543E-01 Diamond 0.4320215E-01 Metallicity 0.2362371E+01 Ellipticity 0.2375027E-01 Gb(Abramov) 0.2708824E-01 Vb(Abramov) -0.2863106E-01 Hb(Abramov) -0.1542818E-02 Ex_ueg -0.8015638E-02 Ec_ueg -0.1532070E-02 Delta_ex -0.8573216E-02 Delta_ec 0.4750316E-02 Delta_et -0.4504380E-01 Pxc 0.5231900E+01 Qxc -0.1804767E+01 3,-1 129 3 +1 -0.332206 2.859283 0.160858 Rho 0.2485517E-01 |GRAD(Rho)| 0.1796033E-16 GRAD(Rho)x 0.1632131E-16 GRAD(Rho)y 0.7201910E-17 GRAD(Rho)z -0.2078661E-17 Laplacian 0.9201897E-01 (-1/4)Del**2(Rho)) -0.2300474E-01 Diamond 0.1143865E-01 Metallicity 0.1585247E+01 Ellipticity -0.3597261E+01 Gb(Abramov) 0.2141453E-01 Vb(Abramov) -0.1982432E-01 Hb(Abramov) 0.1590214E-02 Ex_ueg -0.5357235E-02 Ec_ueg -0.1081425E-02 Delta_ex -0.5659426E-02 Delta_ec 0.1463681E-02 Delta_et -0.1292492E-01 Pxc 0.4953867E+01 Qxc -0.3866569E+01 3,+1 130 3 +1 0.553833 -1.689987 -0.054701 Rho 0.8105869E-02 |GRAD(Rho)| 0.1113814E-16 GRAD(Rho)x 0.4454546E-17 GRAD(Rho)y -0.8207749E-17 GRAD(Rho)z 0.6070262E-17 Laplacian 0.2961774E-01 (-1/4)Del**2(Rho)) -0.7404435E-02 Diamond 0.6676328E-03 Metallicity 0.7610161E+00 Ellipticity -0.1396982E+01 Gb(Abramov) 0.5875439E-02 Vb(Abramov) -0.4346443E-02 Hb(Abramov) 0.1528996E-02 Ex_ueg -0.1202591E-02 Ec_ueg -0.2829258E-03 Delta_ex -0.1301986E-02 Delta_ec 0.3614142E-03 Delta_et -0.2478638E-02 Pxc 0.4250551E+01 Qxc -0.3602476E+01 3,+1 131 3 +1 0.272743 -1.251769 -2.594411 Rho 0.2721282E-01 |GRAD(Rho)| 0.1231739E-09 GRAD(Rho)x 0.3130048E-10 GRAD(Rho)y -0.8964971E-10 GRAD(Rho)z 0.7845386E-10 Laplacian 0.1047238E+00 (-1/4)Del**2(Rho)) -0.2618095E-01 Diamond 0.1468335E-01 Metallicity 0.1620032E+01 Ellipticity -0.3324377E+01 Gb(Abramov) 0.2452296E-01 Vb(Abramov) -0.2286498E-01 Hb(Abramov) 0.1657986E-02 Ex_ueg -0.6045280E-02 Ec_ueg -0.1200759E-02 Delta_ex -0.6594005E-02 Delta_ec 0.1654091E-02 Delta_et -0.1492567E-01 Pxc 0.5034550E+01 Qxc -0.3986483E+01 3,+1 132 3 -1 2.915847 0.344395 1.591623 Rho 0.7696900E-01 |GRAD(Rho)| 0.5481157E-16 GRAD(Rho)x -0.2663919E-17 GRAD(Rho)y 0.5470139E-16 GRAD(Rho)z -0.2229391E-17 Laplacian 0.3183579E+00 (-1/4)Del**2(Rho)) -0.7958948E-01 Diamond 0.2875671E+00 Metallicity 0.3014560E+01 Ellipticity 0.1982004E-02 Gb(Abramov) 0.9304753E-01 Vb(Abramov) -0.1065056E+00 Hb(Abramov) -0.1345805E-01 Ex_ueg -0.2418092E-01 Ec_ueg -0.3952531E-02 Delta_ex -0.2919899E-01 Delta_ec 0.9343856E-02 Delta_et -0.1097289E+00 Pxc 0.6117832E+01 Qxc -0.3124940E+01 3,-1 133 3 -1 3.878671 -0.702834 2.222686 Rho 0.2219807E+00 |GRAD(Rho)| 0.1274241E-14 GRAD(Rho)x 0.9592479E-15 GRAD(Rho)y 0.8220980E-15 GRAD(Rho)z -0.1663979E-15 Laplacian 0.7957894E+00 (-1/4)Del**2(Rho)) -0.1989474E+00 Diamond 0.2576416E+01 Metallicity 0.7047044E+01 Ellipticity 0.4457384E-02 Gb(Abramov) 0.3662967E+00 Vb(Abramov) -0.5336461E+00 Hb(Abramov) -0.1673493E+00 Ex_ueg -0.9926710E-01 Ec_ueg -0.1320239E-01 Delta_ex -0.9430000E-01 Delta_ec 0.1813370E-01 Delta_et -0.2509154E+00 Pxc 0.7518873E+01 Qxc -0.5200264E+01 3,-1 134 3 -1 -1.673024 -0.066778 -1.640022 Rho 0.6274313E-02 |GRAD(Rho)| 0.1208316E-14 GRAD(Rho)x 0.1149217E-14 GRAD(Rho)y -0.3652072E-15 GRAD(Rho)z 0.7715212E-16 Laplacian 0.2269853E-01 (-1/4)Del**2(Rho)) -0.5674632E-02 Diamond 0.7635742E-03 Metallicity 0.6479763E+00 Ellipticity 0.5984674E+00 Gb(Abramov) 0.4395925E-02 Vb(Abramov) -0.3117219E-02 Hb(Abramov) 0.1278706E-02 Ex_ueg -0.8546860E-03 Ec_ueg -0.2021572E-03 Delta_ex -0.1210952E-02 Delta_ec 0.7700851E-03 Delta_et -0.4454920E-02 Pxc 0.4227828E+01 Qxc -0.1572491E+01 3,-1 135 3 -1 0.139412 -0.373585 -0.734821 Rho 0.1749293E+00 |GRAD(Rho)| 0.2945495E-15 GRAD(Rho)x -0.2631551E-15 GRAD(Rho)y -0.1162023E-17 GRAD(Rho)z 0.1323157E-15 Laplacian 0.7235399E+00 (-1/4)Del**2(Rho)) -0.1808850E+00 Diamond 0.2057547E+01 Metallicity 0.5211005E+01 Ellipticity 0.2124605E-01 Gb(Abramov) 0.2776887E+00 Vb(Abramov) -0.3744925E+00 Hb(Abramov) -0.9680375E-01 Ex_ueg -0.7225507E-01 Ec_ueg -0.1005801E-01 Delta_ex -0.8311040E-01 Delta_ec 0.2191269E-01 Delta_et -0.3095932E+00 Pxc 0.7183832E+01 Qxc -0.3792798E+01 3,-1 136 3 -1 0.129481 -0.413113 0.723453 Rho 0.1741641E+00 |GRAD(Rho)| 0.3325959E-14 GRAD(Rho)x -0.1015484E-14 GRAD(Rho)y 0.1113652E-14 GRAD(Rho)z -0.2964891E-14 Laplacian 0.7197016E+00 (-1/4)Del**2(Rho)) -0.1799254E+00 Diamond 0.2035181E+01 Metallicity 0.5200658E+01 Ellipticity 0.1741326E-01 Gb(Abramov) 0.2759053E+00 Vb(Abramov) -0.3718853E+00 Hb(Abramov) -0.9597995E-01 Ex_ueg -0.7183396E-01 Ec_ueg -0.1000791E-01 Delta_ex -0.8257694E-01 Delta_ec 0.2180871E-01 Delta_et -0.3078771E+00 Pxc 0.7177717E+01 Qxc -0.3786420E+01 3,-1 137 3 -1 0.199259 -0.499899 2.488119 Rho 0.4882393E-01 |GRAD(Rho)| 0.6802387E-15 GRAD(Rho)x -0.1403569E-15 GRAD(Rho)y 0.1498205E-15 GRAD(Rho)z 0.6485202E-15 Laplacian 0.1927428E+00 (-1/4)Del**2(Rho)) -0.4818570E-01 Diamond 0.9563369E-01 Metallicity 0.2331791E+01 Ellipticity 0.1886397E-01 Gb(Abramov) 0.5085030E-01 Vb(Abramov) -0.5351489E-01 Hb(Abramov) -0.2664597E-02 Ex_ueg -0.1317939E-01 Ec_ueg -0.2349969E-02 Delta_ex -0.1581661E-01 Delta_ec 0.5826450E-02 Delta_et -0.6107919E-01 Pxc 0.5608326E+01 Qxc -0.2714621E+01 3,-1 138 3 -1 0.076889 -1.216187 3.588801 Rho 0.1431344E+00 |GRAD(Rho)| 0.4920701E-13 GRAD(Rho)x -0.1258800E-13 GRAD(Rho)y 0.4703898E-13 GRAD(Rho)z 0.7085672E-14 Laplacian 0.5313740E+00 (-1/4)Del**2(Rho)) -0.1328435E+00 Diamond 0.1025470E+01 Metallicity 0.5079095E+01 Ellipticity 0.5331318E-01 Gb(Abramov) 0.2010165E+00 Vb(Abramov) -0.2691894E+00 Hb(Abramov) -0.6817296E-01 Ex_ueg -0.5529814E-01 Ec_ueg -0.8005477E-02 Delta_ex -0.5649338E-01 Delta_ec 0.1378216E-01 Delta_et -0.1825504E+00 Pxc 0.6907538E+01 Qxc -0.4099020E+01 3,-1 139 3 -1 0.043984 -1.147873 -3.517074 Rho 0.7578254E-01 |GRAD(Rho)| 0.2906974E-12 GRAD(Rho)x -0.6294831E-13 GRAD(Rho)y 0.2155723E-12 GRAD(Rho)z -0.1845836E-12 Laplacian 0.2899450E+00 (-1/4)Del**2(Rho)) -0.7248626E-01 Diamond 0.2571649E+00 Metallicity 0.3225369E+01 Ellipticity 0.2088538E-01 Gb(Abramov) 0.8728999E-01 Vb(Abramov) -0.1020937E+00 Hb(Abramov) -0.1480373E-01 Ex_ueg -0.2368521E-01 Ec_ueg -0.3883150E-02 Delta_ex -0.2650412E-01 Delta_ec 0.8543607E-02 Delta_et -0.9998197E-01 Pxc 0.6099483E+01 Qxc -0.3102217E+01 3,-1 140 3 -1 -0.078585 0.042179 -4.481204 Rho 0.2152588E+00 |GRAD(Rho)| 0.1924182E-14 GRAD(Rho)x -0.9102555E-16 GRAD(Rho)y -0.1217085E-15 GRAD(Rho)z 0.1918170E-14 Laplacian 0.7970946E+00 (-1/4)Del**2(Rho)) -0.1992737E+00 Diamond 0.2475154E+01 Metallicity 0.6684026E+01 Ellipticity 0.1293820E-01 Gb(Abramov) 0.3548408E+00 Vb(Abramov) -0.5104080E+00 Hb(Abramov) -0.1555672E+00 Ex_ueg -0.9527953E-01 Ec_ueg -0.1274562E-01 Delta_ex -0.9363569E-01 Delta_ec 0.1819264E-01 Delta_et -0.2507636E+00 Pxc 0.7475474E+01 Qxc -0.5146900E+01 3,-1 141 3 -1 1.019673 -0.133851 -3.484036 Rho 0.7164576E-01 |GRAD(Rho)| 0.1253595E-14 GRAD(Rho)x -0.1099600E-14 GRAD(Rho)y 0.1755228E-15 GRAD(Rho)z -0.5758238E-15 Laplacian 0.2859470E+00 (-1/4)Del**2(Rho)) -0.7148675E-01 Diamond 0.2354520E+00 Metallicity 0.2978368E+01 Ellipticity 0.1194939E-01 Gb(Abramov) 0.8314348E-01 Vb(Abramov) -0.9480021E-01 Hb(Abramov) -0.1165673E-01 Ex_ueg -0.2197720E-01 Ec_ueg -0.3642371E-02 Delta_ex -0.2577377E-01 Delta_ec 0.8452067E-02 Delta_et -0.9758964E-01 Pxc 0.6033762E+01 Qxc -0.3049404E+01 3,-1 142 3 +1 0.324133 -1.581888 2.391138 Rho 0.2932914E-01 |GRAD(Rho)| 0.1004315E-14 GRAD(Rho)x 0.9555615E-15 GRAD(Rho)y 0.3089162E-15 GRAD(Rho)z -0.1101838E-16 Laplacian 0.1148263E+00 (-1/4)Del**2(Rho)) -0.2870658E-01 Diamond 0.1881156E-01 Metallicity 0.1673930E+01 Ellipticity -0.5274915E+01 Gb(Abramov) 0.2714652E-01 Vb(Abramov) -0.2558646E-01 Hb(Abramov) 0.1560058E-02 Ex_ueg -0.6680119E-02 Ec_ueg -0.1309056E-02 Delta_ex -0.7463031E-02 Delta_ec 0.1963893E-02 Delta_et -0.1801500E-01 Pxc 0.5103006E+01 Qxc -0.3800121E+01 3,+1 143 3 +3 1.370372 -1.450004 -2.769812 Rho 0.1142919E-01 |GRAD(Rho)| 0.4199223E-15 GRAD(Rho)x -0.2096482E-15 GRAD(Rho)y 0.1635116E-15 GRAD(Rho)z 0.3250328E-15 Laplacian 0.5091299E-01 (-1/4)Del**2(Rho)) -0.1272825E-01 Diamond 0.1305535E-02 Metallicity 0.7848932E+00 Ellipticity -0.9133648E+00 Gb(Abramov) 0.1015055E-01 Vb(Abramov) -0.7572854E-02 Hb(Abramov) 0.2577697E-02 Ex_ueg -0.1901396E-02 Ec_ueg -0.4332831E-03 Delta_ex -0.2284830E-02 Delta_ec 0.3290089E-03 Delta_et -0.2699164E-02 Pxc 0.4388345E+01 Qxc -0.6944585E+01 3,+3 144 3 -1 0.469097 3.396740 -1.509148 Rho 0.1539716E+00 |GRAD(Rho)| 0.3948407E-13 GRAD(Rho)x 0.2770803E-13 GRAD(Rho)y -0.7978688E-14 GRAD(Rho)z 0.2697401E-13 Laplacian 0.5924586E+00 (-1/4)Del**2(Rho)) -0.1481147E+00 Diamond 0.1232526E+01 Metallicity 0.5144653E+01 Ellipticity 0.5217361E-01 Gb(Abramov) 0.2257429E+00 Vb(Abramov) -0.3033711E+00 Hb(Abramov) -0.7762821E-01 Ex_ueg -0.6094983E-01 Ec_ueg -0.8698236E-02 Delta_ex -0.6397391E-01 Delta_ec 0.1482494E-01 Delta_et -0.1977941E+00 Pxc 0.7007149E+01 Qxc -0.4315289E+01 3,-1 145 3 -1 0.517236 3.353450 1.526447 Rho 0.1476103E+00 |GRAD(Rho)| 0.9601234E-14 GRAD(Rho)x -0.1093309E-14 GRAD(Rho)y -0.8582341E-14 GRAD(Rho)z -0.4163147E-14 Laplacian 0.5679597E+00 (-1/4)Del**2(Rho)) -0.1419899E+00 Diamond 0.1122462E+01 Metallicity 0.5002151E+01 Ellipticity 0.5953088E-01 Gb(Abramov) 0.2130358E+00 Vb(Abramov) -0.2840817E+00 Hb(Abramov) -0.7104587E-01 Ex_ueg -0.5761568E-01 Ec_ueg -0.8290716E-02 Delta_ex -0.6068711E-01 Delta_ec 0.1434945E-01 Delta_et -0.1903221E+00 Pxc 0.6949421E+01 Qxc -0.4229229E+01 3,-1 146 3 -1 3.217269 3.113127 -0.029348 Rho 0.2243802E+00 |GRAD(Rho)| 0.3987286E-13 GRAD(Rho)x -0.3157506E-13 GRAD(Rho)y -0.2434663E-13 GRAD(Rho)z 0.3202445E-15 Laplacian 0.8186794E+00 (-1/4)Del**2(Rho)) -0.2046698E+00 Diamond 0.2678135E+01 Metallicity 0.6973863E+01 Ellipticity 0.4579308E-02 Gb(Abramov) 0.3743365E+00 Vb(Abramov) -0.5440031E+00 Hb(Abramov) -0.1696666E+00 Ex_ueg -0.1007004E+00 Ec_ueg -0.1336605E-01 Delta_ex -0.9724245E-01 Delta_ec 0.1852647E-01 Delta_et -0.2562177E+00 Pxc 0.7534042E+01 Qxc -0.5248838E+01 3,-1 147 3 -1 1.872904 3.087414 0.671745 Rho 0.1090820E+00 |GRAD(Rho)| 0.5540975E-14 GRAD(Rho)x 0.3593680E-14 GRAD(Rho)y -0.2637386E-14 GRAD(Rho)z -0.3291211E-14 Laplacian 0.4236861E+00 (-1/4)Del**2(Rho)) -0.1059215E+00 Diamond 0.5833628E+00 Metallicity 0.4050335E+01 Ellipticity 0.4486619E-01 Gb(Abramov) 0.1421173E+00 Vb(Abramov) -0.1783130E+00 Hb(Abramov) -0.3619576E-01 Ex_ueg -0.3849366E-01 Ec_ueg -0.5878418E-02 Delta_ex -0.4211121E-01 Delta_ec 0.1153823E-01 Delta_et -0.1456846E+00 Pxc 0.6548304E+01 Qxc -0.3649711E+01 3,-1 148 3 -1 -0.160313 2.369890 2.402995 Rho 0.1611557E+00 |GRAD(Rho)| 0.4832668E-12 GRAD(Rho)x -0.1045876E-12 GRAD(Rho)y 0.3952644E-12 GRAD(Rho)z -0.2576321E-12 Laplacian 0.6634293E+00 (-1/4)Del**2(Rho)) -0.1658573E+00 Diamond 0.1432810E+01 Metallicity 0.4957105E+01 Ellipticity 0.3076618E-01 Gb(Abramov) 0.2476003E+00 Vb(Abramov) -0.3293432E+00 Hb(Abramov) -0.8174293E-01 Ex_ueg -0.6477083E-01 Ec_ueg -0.9161425E-02 Delta_ex -0.7222451E-01 Delta_ec 0.1600539E-01 Delta_et -0.2137557E+00 Pxc 0.7069951E+01 Qxc -0.4512512E+01 3,-1 149 3 -1 1.865781 3.057081 -0.739434 Rho 0.1028304E+00 |GRAD(Rho)| 0.1989459E-15 GRAD(Rho)x 0.7185550E-16 GRAD(Rho)y -0.1133262E-15 GRAD(Rho)z 0.1468789E-15 Laplacian 0.4050543E+00 (-1/4)Del**2(Rho)) -0.1012636E+00 Diamond 0.5180918E+00 Metallicity 0.3839743E+01 Ellipticity 0.3458843E-01 Gb(Abramov) 0.1323134E+00 Vb(Abramov) -0.1633632E+00 Hb(Abramov) -0.3104983E-01 Ex_ueg -0.3558062E-01 Ec_ueg -0.5496822E-02 Delta_ex -0.3968320E-01 Delta_ec 0.1113911E-01 Delta_et -0.1390221E+00 Pxc 0.6472944E+01 Qxc -0.3562512E+01 3,-1 150 3 -1 -1.327802 -3.107474 0.233493 Rho 0.3604520E-01 |GRAD(Rho)| 0.1237722E-15 GRAD(Rho)x 0.1396247E-16 GRAD(Rho)y 0.1228914E-16 GRAD(Rho)z 0.1223666E-15 Laplacian 0.1083784E+00 (-1/4)Del**2(Rho)) -0.2709459E-01 Diamond 0.5248226E-01 Metallicity 0.2500824E+01 Ellipticity 0.1928413E-01 Gb(Abramov) 0.2935619E-01 Vb(Abramov) -0.3161779E-01 Hb(Abramov) -0.2261602E-02 Ex_ueg -0.8793904E-02 Ec_ueg -0.1659438E-02 Delta_ex -0.9375113E-02 Delta_ec 0.5292664E-02 Delta_et -0.5123511E-01 Pxc 0.5299325E+01 Qxc -0.1771341E+01 3,-1 151 3 +1 1.209049 -0.443054 -2.473709 Rho 0.2510511E-01 |GRAD(Rho)| 0.5512856E-14 GRAD(Rho)x -0.1003055E-14 GRAD(Rho)y -0.3578681E-14 GRAD(Rho)z -0.4071671E-14 Laplacian 0.9863659E-01 (-1/4)Del**2(Rho)) -0.2465915E-01 Diamond 0.1464514E-01 Metallicity 0.1503761E+01 Ellipticity -0.1819017E+02 Gb(Abramov) 0.2261967E-01 Vb(Abramov) -0.2058020E-01 Hb(Abramov) 0.2039474E-02 Ex_ueg -0.5429184E-02 Ec_ueg -0.1094008E-02 Delta_ex -0.6321883E-02 Delta_ec 0.1995773E-02 Delta_et -0.1756143E-01 Pxc 0.4962656E+01 Qxc -0.3167636E+01 3,+1 152 3 -1 -1.025994 -0.188103 -3.365929 Rho 0.2185633E+00 |GRAD(Rho)| 0.7143614E-13 GRAD(Rho)x -0.2790937E-13 GRAD(Rho)y -0.8919162E-14 GRAD(Rho)z 0.6515089E-13 Laplacian 0.8263110E+00 (-1/4)Del**2(Rho)) -0.2065778E+00 Diamond 0.2598220E+01 Metallicity 0.6613504E+01 Ellipticity 0.1281805E-01 Gb(Abramov) 0.3654190E+00 Vb(Abramov) -0.5242602E+00 Hb(Abramov) -0.1588412E+00 Ex_ueg -0.9723471E-01 Ec_ueg -0.1296986E-01 Delta_ex -0.9735909E-01 Delta_ec 0.1861568E-01 Delta_et -0.2561953E+00 Pxc 0.7496977E+01 Qxc -0.5229951E+01 3,-1 153 3 -1 -1.073302 -0.018357 -0.005616 Rho 0.2190411E+00 |GRAD(Rho)| 0.2219720E-16 GRAD(Rho)x -0.2157562E-16 GRAD(Rho)y -0.1235420E-17 GRAD(Rho)z -0.5067732E-17 Laplacian 0.8774047E+00 (-1/4)Del**2(Rho)) -0.2193512E+00 Diamond 0.3226510E+01 Metallicity 0.6251090E+01 Ellipticity 0.4165771E-03 Gb(Abramov) 0.3747648E+00 Vb(Abramov) -0.5301784E+00 Hb(Abramov) -0.1554136E+00 Ex_ueg -0.9751822E-01 Ec_ueg -0.1300233E-01 Delta_ex -0.1062057E+00 Delta_ec 0.2469666E-01 Delta_et -0.3594741E+00 Pxc 0.7500059E+01 Qxc -0.4300406E+01 3,-1 154 3 -1 -0.983711 -0.204439 3.429778 Rho 0.2177462E+00 |GRAD(Rho)| 0.6356646E-13 GRAD(Rho)x 0.6091389E-13 GRAD(Rho)y -0.2056743E-14 GRAD(Rho)z 0.1805443E-13 Laplacian 0.8295115E+00 (-1/4)Del**2(Rho)) -0.2073779E+00 Diamond 0.2588190E+01 Metallicity 0.6546990E+01 Ellipticity 0.1789754E-01 Gb(Abramov) 0.3645354E+00 Vb(Abramov) -0.5216929E+00 Hb(Abramov) -0.1571575E+00 Ex_ueg -0.9675033E-01 Ec_ueg -0.1291435E-01 Delta_ex -0.9759083E-01 Delta_ec 0.1861719E-01 Delta_et -0.2558073E+00 Pxc 0.7491690E+01 Qxc -0.5241974E+01 3,-1 155 3 -1 -2.164932 1.555009 -1.293641 Rho 0.3209832E+00 |GRAD(Rho)| 0.1435017E-15 GRAD(Rho)x -0.1021854E-15 GRAD(Rho)y 0.8962752E-16 GRAD(Rho)z 0.4601951E-16 Laplacian -0.1637044E+01 (-1/4)Del**2(Rho)) 0.4092610E+00 Diamond 0.5756314E+01 Metallicity -0.6334173E+01 Ellipticity 0.3464965E-02 Gb(Abramov) 0.1592143E+00 Vb(Abramov) -0.7276897E+00 Hb(Abramov) -0.5684753E+00 Ex_ueg -0.1623160E+00 Ec_ueg -0.2021733E-01 Delta_ex 0.1631674E+00 Delta_ec 0.5720520E-01 Delta_et -0.1359313E+01 Pxc 0.8028561E+01 Qxc 0.2852318E+01 3,-1 156 3 -1 -2.167946 1.614541 1.162091 Rho 0.3184784E+00 |GRAD(Rho)| 0.1529313E-14 GRAD(Rho)x -0.1512539E-14 GRAD(Rho)y 0.1221997E-15 GRAD(Rho)z 0.1899778E-15 Laplacian -0.1616629E+01 (-1/4)Del**2(Rho)) 0.4041573E+00 Diamond 0.5645715E+01 Metallicity -0.6330956E+01 Ellipticity 0.3306338E-02 Gb(Abramov) 0.1570122E+00 Vb(Abramov) -0.7181817E+00 Hb(Abramov) -0.5611695E+00 Ex_ueg -0.1606294E+00 Ec_ueg -0.2003317E-01 Delta_ex 0.1605850E+00 Delta_ec 0.5658599E-01 Delta_et -0.1339939E+01 Pxc 0.8018173E+01 Qxc 0.2837892E+01 3,-1 157 3 -1 1.045113 -0.144761 3.508636 Rho 0.7997510E-01 |GRAD(Rho)| 0.5277182E-13 GRAD(Rho)x -0.5008620E-13 GRAD(Rho)y -0.2122996E-14 GRAD(Rho)z 0.1648427E-13 Laplacian 0.3218906E+00 (-1/4)Del**2(Rho)) -0.8047264E-01 Diamond 0.3026522E+00 Metallicity 0.3178066E+01 Ellipticity 0.1166885E-01 Gb(Abramov) 0.9627299E-01 Vb(Abramov) -0.1120733E+00 Hb(Abramov) -0.1580035E-01 Ex_ueg -0.2544826E-01 Ec_ueg -0.4128942E-02 Delta_ex -0.2973476E-01 Delta_ec 0.9294151E-02 Delta_et -0.1100251E+00 Pxc 0.6163386E+01 Qxc -0.3199299E+01 3,-1 158 3 -1 0.292571 -2.564506 2.729490 Rho 0.1116978E+00 |GRAD(Rho)| 0.1331720E-15 GRAD(Rho)x -0.2594123E-16 GRAD(Rho)y 0.1296333E-15 GRAD(Rho)z -0.1603264E-16 Laplacian 0.4275937E+00 (-1/4)Del**2(Rho)) -0.1068984E+00 Diamond 0.6083560E+00 Metallicity 0.4174997E+01 Ellipticity 0.4390937E-01 Gb(Abramov) 0.1456490E+00 Vb(Abramov) -0.1843997E+00 Hb(Abramov) -0.3875062E-01 Ex_ueg -0.3972932E-01 Ec_ueg -0.6038954E-02 Delta_ex -0.4277605E-01 Delta_ec 0.1164969E-01 Delta_et -0.1478382E+00 Pxc 0.6578842E+01 Qxc -0.3671860E+01 3,-1 159 3 -1 2.675684 1.884209 -0.736539 Rho 0.1511031E+00 |GRAD(Rho)| 0.1867996E-11 GRAD(Rho)x 0.3653022E-12 GRAD(Rho)y -0.1242491E-11 GRAD(Rho)z -0.1346172E-11 Laplacian 0.6248551E+00 (-1/4)Del**2(Rho)) -0.1562138E+00 Diamond 0.1261768E+01 Metallicity 0.4727403E+01 Ellipticity 0.2271674E-01 Gb(Abramov) 0.2272234E+00 Vb(Abramov) -0.2982331E+00 Hb(Abramov) -0.7100965E-01 Ex_ueg -0.5944054E-01 Ec_ueg -0.8514163E-02 Delta_ex -0.6706977E-01 Delta_ec 0.1554877E-01 Delta_et -0.2065506E+00 Pxc 0.6981372E+01 Qxc -0.4313510E+01 3,-1 160 3 -1 2.678043 1.887479 0.665250 Rho 0.1775983E+00 |GRAD(Rho)| 0.3328935E-15 GRAD(Rho)x 0.1785071E-15 GRAD(Rho)y 0.2132355E-15 GRAD(Rho)z -0.1829862E-15 Laplacian 0.7305833E+00 (-1/4)Del**2(Rho)) -0.1826458E+00 Diamond 0.1770346E+01 Metallicity 0.5292667E+01 Ellipticity 0.3907101E-01 Gb(Abramov) 0.2828778E+00 Vb(Abramov) -0.3831098E+00 Hb(Abramov) -0.1002320E+00 Ex_ueg -0.7372872E-01 Ec_ueg -0.1023303E-01 Delta_ex -0.8147847E-01 Delta_ec 0.1714323E-01 Delta_et -0.2312409E+00 Pxc 0.7204974E+01 Qxc -0.4752808E+01 3,-1 161 3 +1 1.357498 -0.480859 -2.357551 Rho 0.2511477E-01 |GRAD(Rho)| 0.5789475E-16 GRAD(Rho)x 0.5535450E-16 GRAD(Rho)y 0.1226017E-16 GRAD(Rho)z -0.1172047E-16 Laplacian 0.9815556E-01 (-1/4)Del**2(Rho)) -0.2453889E-01 Diamond 0.1467110E-01 Metallicity 0.1512099E+01 Ellipticity -0.5926476E+02 Gb(Abramov) 0.2254347E-01 Vb(Abramov) -0.2054804E-01 Hb(Abramov) 0.1995423E-02 Ex_ueg -0.5431970E-02 Ec_ueg -0.1094495E-02 Delta_ex -0.6301362E-02 Delta_ec 0.2003325E-02 Delta_et -0.1762631E-01 Pxc 0.4962994E+01 Qxc -0.3145452E+01 3,+1 162 3 -1 0.383812 -2.589459 -2.785800 Rho 0.1730583E+00 |GRAD(Rho)| 0.1941868E-15 GRAD(Rho)x 0.7479640E-16 GRAD(Rho)y -0.2752518E-16 GRAD(Rho)z 0.1770773E-15 Laplacian 0.6687948E+00 (-1/4)Del**2(Rho)) -0.1671987E+00 Diamond 0.1596551E+01 Metallicity 0.5537420E+01 Ellipticity 0.8753342E-01 Gb(Abramov) 0.2657741E+00 Vb(Abramov) -0.3643494E+00 Hb(Abramov) -0.9857535E-01 Ex_ueg -0.7122649E-01 Ec_ueg -0.9935569E-02 Delta_ex -0.7431184E-01 Delta_ec 0.1617723E-01 Delta_et -0.2187478E+00 Pxc 0.7168838E+01 Qxc -0.4593606E+01 3,-1 163 3 -1 -1.331977 -3.101052 -0.600720 Rho 0.3183966E+00 |GRAD(Rho)| 0.5844297E-12 GRAD(Rho)x 0.2023376E-12 GRAD(Rho)y -0.4930949E-12 GRAD(Rho)z -0.2397392E-12 Laplacian -0.1596734E+01 (-1/4)Del**2(Rho)) 0.3991834E+00 Diamond 0.5564752E+01 Metallicity -0.6407099E+01 Ellipticity 0.7296046E-02 Gb(Abramov) 0.1601457E+00 Vb(Abramov) -0.7194747E+00 Hb(Abramov) -0.5593291E+00 Ex_ueg -0.1605744E+00 Ec_ueg -0.2002716E-01 Delta_ex 0.1586283E+00 Delta_ec 0.5582597E-01 Delta_et -0.1322031E+01 Pxc 0.8017832E+01 Qxc 0.2841479E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 59 86 62 113 162 83 140 70 101 148 66 145 69 121 124 132 98 123 133 73 80 152 141 139 146 111 159 160 149 147 79 137 154 78 138 157 76 63 88 158 102 84 120 100 118 119 97 125 71 106 72 64 144 65 81 135 126 134 153 127 128 82 136 150 110 56 58 155 115 156 163 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 13 14 14 14 14 14 15 16 17 18 19 21 21 22 23 26 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 29 36 19 28 36 45 46 36 36 47 20 23 28 46 24 45 47 2.428788 2.035260 1.961018 1.953841 1.844565 1.741564 1.758692 2.375201 1.954323 1.861292 2.111817 1.908328 1.738572 2.578127 1.958291 2.157556 1.820075 1.851811 1.746857 2.297618 1.862820 1.752346 2.202998 2.179789 1.742270 2.411150 1.887401 1.824872 2.054395 2.031215 1.752186 2.364087 1.754150 2.078235 1.923163 2.156552 2.345856 1.774848 1.893878 2.021873 2.235242 1.752910 2.560065 1.996367 1.943329 1.842465 1.947635 1.740423 2.428283 2.100694 1.960763 1.738739 1.891069 1.867471 2.615890 1.746671 3.268936 3.215120 1.666692 1.815472 1.837886 1.749240 1.748379 1.792070 3.240020 3.042985 3.050489 0.994391 3.224547 0.997094 0.997786 2.428982 2.035965 1.962499 1.954541 1.845096 1.741589 1.758753 2.375615 1.955993 1.861869 2.112478 1.909035 1.738588 2.578406 1.958901 2.158193 1.820364 1.852321 1.746890 2.298075 1.863293 1.752460 2.203712 2.180445 1.742289 2.411565 1.887932 1.825358 2.055154 2.031877 1.752229 2.364533 1.754260 2.078622 1.923725 2.157308 2.346214 1.774922 1.894398 2.022562 2.235952 1.752936 2.560387 1.997021 1.943960 1.843033 1.948261 1.740443 2.428596 2.101296 1.962692 1.738758 1.891750 1.867938 2.622487 1.746715 3.303057 3.248341 1.666717 1.821719 1.846881 1.749250 1.748426 1.795495 3.242362 3.049659 3.081185 0.994477 3.227109 0.997182 0.997875 27 24 24 25 22 24 23 27 23 25 26 23 24 29 23 25 23 24 22 27 23 21 25 25 24 27 24 23 26 24 23 27 21 25 24 25 27 23 23 24 28 22 29 23 27 24 23 21 27 31 25 22 23 23 29 24 35 35 21 27 26 24 25 25 35 33 33 17 35 17 17 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 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 V O O O O O O O O H H H 2.2805 -0.7868 2.3142 2.2562 2.2376 2.3283 2.2140 -0.7531 -0.7702 2.2189 2.2722 2.2730 -1.1241 -0.8455 -1.1313 -1.1246 -0.7947 -0.9210 -0.7313 -0.9120 -0.7656 -0.9233 -0.7603 -0.9276 -0.9065 -0.7723 -0.8739 -0.7431 -0.8889 -0.7461 -0.9133 -0.9433 -0.9173 -0.8904 -0.8863 1.9663 -0.7735 -0.9106 -0.8866 -0.9187 -0.7489 -0.7554 -0.7418 -0.7742 0.3088 0.3025 0.2900 1.9520 1.9642 1.9387 1.9516 1.9691 1.9255 1.9752 1.9704 1.9662 1.9697 1.9427 1.9532 1.9573 1.9873 1.9544 1.9568 1.9680 1.9421 1.9724 1.9401 1.8752 1.9376 1.8773 1.9398 1.9420 1.8757 1.9512 1.9717 1.9543 1.9706 1.9477 1.9463 1.9441 1.9488 1.9562 1.9397 1.9661 1.9505 1.9556 1.9478 1.9688 1.9702 1.9716 1.9675 0.5393 0.5471 0.5565 6.0978 4.7939 6.0833 6.1005 6.0903 6.0818 6.1045 4.7514 4.7742 6.1135 6.1021 6.0978 5.1387 4.8290 5.1475 5.1402 4.7961 4.9540 4.7284 4.9449 4.8623 4.9615 4.8543 4.9623 4.9389 4.8680 4.8950 4.7410 4.9076 4.7438 4.9386 4.9701 4.9448 4.9135 4.9015 6.0895 4.7779 4.9335 4.9033 4.9436 4.7488 4.7535 4.7385 4.7761 0.1519 0.1504 0.1536 3.6697 0.0288 3.6638 3.6917 3.7031 3.6644 3.7063 0.0313 0.0298 3.6979 3.6830 3.6761 0.0280 0.0292 0.0294 0.0276 0.0305 0.0250 0.0305 0.0270 0.0281 0.0242 0.0286 0.0255 0.0255 0.0287 0.0277 0.0304 0.0270 0.0318 0.0270 0.0268 0.0283 0.0281 0.0286 3.0045 0.0295 0.0266 0.0278 0.0273 0.0314 0.0316 0.0317 0.0307 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 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 V O O O O O O O O H H H 3.163446 -1.064781 3.161385 3.151266 3.127681 3.166412 3.137244 -1.023414 -1.047239 3.140092 3.166794 3.156965 -1.160009 -0.773931 -1.163338 -1.163394 -0.985748 -1.198505 -1.014256 -1.198050 -0.744190 -1.209981 -0.736336 -1.194308 -1.184629 -0.755359 -1.154477 -1.018809 -1.154616 -1.018581 -1.177471 -1.196888 -1.190610 -1.164814 -1.158748 2.035433 -1.050366 -1.180237 -1.136185 -1.178508 -1.026815 -1.027427 -1.012471 -1.049919 0.038381 0.037893 0.031418 2.347868 -0.851983 2.354501 2.357798 2.346850 2.371764 2.351245 -0.796269 -0.828988 2.337341 2.366072 2.354242 -0.854129 -0.629969 -0.861242 -0.860617 -0.801923 -0.944311 -0.815742 -0.928406 -0.872756 -0.922380 -0.853715 -0.927680 -0.920760 -0.874582 -0.914736 -0.809874 -0.951010 -0.773424 -0.955065 -0.972834 -0.945917 -0.941036 -0.951373 1.524454 -0.833292 -0.967233 -0.915889 -0.952406 -0.791264 -0.802933 -0.767373 -0.826712 0.305205 0.312840 0.287643 2.481949 -0.824770 2.429050 2.433593 2.410850 2.454952 2.431988 -0.751120 -0.803550 2.421434 2.451921 2.433392 -0.899658 -0.632859 -0.893607 -0.881980 -0.851025 -1.027695 -0.844628 -0.997583 -0.969996 -1.020555 -0.938745 -1.008369 -0.995927 -0.922287 -0.976427 -0.826958 -0.975683 -0.748462 -0.997900 -1.049908 -0.985656 -0.975853 -0.965166 1.489992 -0.810990 -0.982796 -0.966631 -1.011322 -0.797485 -0.769884 -0.735495 -0.800726 0.421041 0.421274 0.360257 -18.28067141 -0.79840587 0.08463389 18.29829396 67.79215824 20.37958193 -4.56874206 -23.45602499 4.69413237 -44.33613325 -268.4202 359.8483 -132.2880 -306.8848 -44.5972 -392.3419 Mar07-2024 21:57:40 Nodes: 1 Procs: 1 Mar07-2024 21:57:40 Nodes: 1 Procs: 1 0 Mar07-2024 21:57:41 Nodes: 1 Procs: 1 Mar07-2024 21:57:41 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar07-2024 21:57:42 Nodes: 1 Procs: 1 Mar07-2024 21:57:42 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 Mar07-2024 21:57:43 Nodes: 1 Procs: 1 Mar07-2024 21:57:43 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar07-2024 21:57:45 Nodes: 1 Procs: 28 *** (NO TITLE) *** -6 -14.32643665 -14.41035494 -14.41330041 -14.41464784 -14.41533729 -14.41587712 -14.41618997 -14.41633813 -14.41641927 -14.41647350 -14.41650043 -14.41652455 -14.41655975 -14.41662067 -14.41668521 -14.41677295 -14.41690262 -14.41708560 -14.41729297 -14.41755070 -14.41766127 -14.41790342 -14.41808629 -14.41812404 -14.41821841 -14.41826320 -14.41830120 GEOMETRY CONVERGED