Ge [Ar]4s(2)3d(10)4p(2) 21s18/16p11/11d Nucleus Model : Gaussian Charge Distribution Nuclear Charge = 32.0 Atomic Mass = 74.0 Parameter Alpha = 2.523561E+08 Speed of Light = 137.0359895 S+ P- P+ D- D+ Number of Closed Shells 4 2 2 1 1 Open Shells 0 1 1 0 0 Conf Weight Open Shell Occupation Numbers 1 0.06666667 0.0 2.0 0.0 0.0 0.0 2 0.53333333 0.0 1.0 1.0 0.0 0.0 3 0.40000000 0.0 0.0 2.0 0.0 0.0 ENERGIES Total Energy = -2.097469506733956E+03 Mass Energy = -2.097444867530721E+03 Kinetic Energy = 4.240372439057536E+03 Potential Energy = -4.240397078260771E+03 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ D- D+ 2.6804074218E+07 o 3.7113890565E+06 o 7.5176030836E+05 o 1.8778738088E+05 o o 5.4228333739E+04 o o 1.7506228215E+04 o o o 6.1718339069E+03 o o o 2.3446727585E+03 o o o 9.4766946255E+02 o o o o o 4.0335249079E+02 o o o o o 1.7932150488E+02 o o o o o 8.2293014154E+01 o o o o o 3.8682162982E+01 o o o o o 1.8642785853E+01 o o o o o 9.0230266292E+00 o o o o o 4.2887241175E+00 o o o o o 1.9823409034E+00 o o o o o 8.8090175003E-01 o o o o o 3.5231574534E-01 o o o o o 1.3849270192E-01 o o o 5.2038119480E-02 o o o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 2.6804074218E+07 1.0000000000E+00 1.0000000000E+00 2 3.7113890565E+06 1.0000000000E+00 1.0000000000E+00 3 7.5176030836E+05 1.0000000000E+00 1.0000000000E+00 4 1.8778738088E+05 1.0000000000E+00 1.0000000000E+00 5 5.4228333739E+04 1.0000000000E+00 1.0000000000E+00 6 1.7506228215E+04 1.0000000000E+00 1.0000000000E+00 7 6.1718339069E+03 1.0000000000E+00 1.0000000000E+00 8 2.3446727585E+03 1.0000000000E+00 1.0000000000E+00 9 9.4766946255E+02 1.0000000000E+00 1.0000000000E+00 10 4.0335249079E+02 1.0000000000E+00 1.0000000000E+00 11 1.7932150488E+02 1.0000000000E+00 1.0000000000E+00 12 8.2293014154E+01 1.0000000000E+00 1.0000000000E+00 13 3.8682162982E+01 1.0000000000E+00 1.0000000000E+00 14 1.8642785853E+01 1.0000000000E+00 1.0000000000E+00 15 9.0230266292E+00 1.0000000000E+00 1.0000000000E+00 16 4.2887241175E+00 1.0000000000E+00 1.0000000000E+00 17 1.9823409034E+00 1.0000000000E+00 1.0000000000E+00 18 8.8090175003E-01 1.0000000000E+00 1.0000000000E+00 19 3.5231574534E-01 1.0000000000E+00 1.0000000000E+00 20 1.3849270192E-01 1.0000000000E+00 1.0000000000E+00 21 5.2038119480E-02 1.0000000000E+00 1.0000000000E+00 P- 1 1.8778738088E+05 1.0000000000E+00 1.0000000000E+00 2 5.4228333739E+04 1.0000000000E+00 1.0000000000E+00 3 1.7506228215E+04 1.0000000000E+00 1.0000000000E+00 4 6.1718339069E+03 1.0000000000E+00 1.0000000000E+00 5 2.3446727585E+03 1.0000000000E+00 1.0000000000E+00 6 9.4766946255E+02 1.0000000000E+00 1.0000000000E+00 7 4.0335249079E+02 1.0000000000E+00 1.0000000000E+00 8 1.7932150488E+02 1.0000000000E+00 1.0000000000E+00 9 8.2293014154E+01 1.0000000000E+00 1.0000000000E+00 10 3.8682162982E+01 1.0000000000E+00 1.0000000000E+00 11 1.8642785853E+01 1.0000000000E+00 1.0000000000E+00 12 9.0230266292E+00 1.0000000000E+00 1.0000000000E+00 13 4.2887241175E+00 1.0000000000E+00 1.0000000000E+00 14 1.9823409034E+00 1.0000000000E+00 1.0000000000E+00 15 8.8090175003E-01 1.0000000000E+00 1.0000000000E+00 16 3.5231574534E-01 1.0000000000E+00 1.0000000000E+00 17 1.3849270192E-01 1.0000000000E+00 1.0000000000E+00 18 5.2038119480E-02 1.0000000000E+00 1.0000000000E+00 P+ 1 1.7506228215E+04 1.0000000000E+00 1.0000000000E+00 2 6.1718339069E+03 1.0000000000E+00 1.0000000000E+00 3 2.3446727585E+03 1.0000000000E+00 1.0000000000E+00 4 9.4766946255E+02 1.0000000000E+00 1.0000000000E+00 5 4.0335249079E+02 1.0000000000E+00 1.0000000000E+00 6 1.7932150488E+02 1.0000000000E+00 1.0000000000E+00 7 8.2293014154E+01 1.0000000000E+00 1.0000000000E+00 8 3.8682162982E+01 1.0000000000E+00 1.0000000000E+00 9 1.8642785853E+01 1.0000000000E+00 1.0000000000E+00 10 9.0230266292E+00 1.0000000000E+00 1.0000000000E+00 11 4.2887241175E+00 1.0000000000E+00 1.0000000000E+00 12 1.9823409034E+00 1.0000000000E+00 1.0000000000E+00 13 8.8090175003E-01 1.0000000000E+00 1.0000000000E+00 14 3.5231574534E-01 1.0000000000E+00 1.0000000000E+00 15 1.3849270192E-01 1.0000000000E+00 1.0000000000E+00 16 5.2038119480E-02 1.0000000000E+00 1.0000000000E+00 D- 1 9.4766946255E+02 1.0000000000E+00 1.0000000000E+00 2 4.0335249079E+02 1.0000000000E+00 1.0000000000E+00 3 1.7932150488E+02 1.0000000000E+00 1.0000000000E+00 4 8.2293014154E+01 1.0000000000E+00 1.0000000000E+00 5 3.8682162982E+01 1.0000000000E+00 1.0000000000E+00 6 1.8642785853E+01 1.0000000000E+00 1.0000000000E+00 7 9.0230266292E+00 1.0000000000E+00 1.0000000000E+00 8 4.2887241175E+00 1.0000000000E+00 1.0000000000E+00 9 1.9823409034E+00 1.0000000000E+00 1.0000000000E+00 10 8.8090175003E-01 1.0000000000E+00 1.0000000000E+00 11 3.5231574534E-01 1.0000000000E+00 1.0000000000E+00 D+ 1 9.4766946255E+02 1.0000000000E+00 1.0000000000E+00 2 4.0335249079E+02 1.0000000000E+00 1.0000000000E+00 3 1.7932150488E+02 1.0000000000E+00 1.0000000000E+00 4 8.2293014154E+01 1.0000000000E+00 1.0000000000E+00 5 3.8682162982E+01 1.0000000000E+00 1.0000000000E+00 6 1.8642785853E+01 1.0000000000E+00 1.0000000000E+00 7 9.0230266292E+00 1.0000000000E+00 1.0000000000E+00 8 4.2887241175E+00 1.0000000000E+00 1.0000000000E+00 9 1.9823409034E+00 1.0000000000E+00 1.0000000000E+00 10 8.8090175003E-01 1.0000000000E+00 1.0000000000E+00 11 3.5231574534E-01 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ -4.1106818E+02 -5.3458884E+01 -7.4120016E+00 -5.7030466E-01 ------------ ------------ ------------ ------------ *** Large-Component *** 1 1.4656820E-05 -4.6724654E-06 -1.8074023E-06 -4.6711026E-07 2 5.9616824E-05 -1.9049935E-05 -7.3701755E-06 -1.9044505E-06 3 2.1641277E-04 -6.9349584E-05 -2.6845453E-05 -6.9396637E-06 4 7.5973246E-04 -2.4423667E-04 -9.4552685E-05 -2.4430123E-05 5 2.5866174E-03 -8.3447792E-04 -3.2334337E-04 -8.3614687E-05 6 8.4095104E-03 -2.7289811E-03 -1.0575789E-03 -2.7322728E-04 7 2.5528453E-02 -8.3880942E-03 -3.2582931E-03 -8.4308626E-04 8 7.0173247E-02 -2.3752033E-02 -9.2524482E-03 -2.3913302E-03 9 1.6633595E-01 -6.0221969E-02 -2.3692297E-02 -6.1438827E-03 10 3.0733018E-01 -1.2897911E-01 -5.1660109E-02 -1.3393566E-02 11 3.6067383E-01 -2.0209000E-01 -8.4543374E-02 -2.2148777E-02 12 1.8443522E-01 -1.3201286E-01 -5.8497656E-02 -1.5247942E-02 13 1.9515768E-02 2.5728302E-01 1.3715945E-01 3.6634094E-02 14 2.1894381E-03 6.0465843E-01 4.5786254E-01 1.3152033E-01 15 -1.1155685E-03 3.0078729E-01 2.9044688E-01 8.2782753E-02 16 6.6052735E-04 2.3520904E-02 -4.5517217E-01 -1.5375489E-01 17 -4.1455864E-04 3.9631631E-03 -6.9709377E-01 -3.4262345E-01 18 1.9251441E-04 -8.2649400E-04 -1.8166915E-01 -2.0568944E-01 19 -8.5557500E-05 4.6900299E-04 3.8402580E-03 4.5076823E-01 20 3.5764138E-05 -2.0450928E-04 -2.5828296E-03 6.7764903E-01 21 -9.5691244E-06 5.3113516E-05 5.9099793E-04 1.2525542E-01 *** Small-Component *** 22 5.0493983E-05 -1.6069959E-05 -6.2154720E-06 -1.6065691E-06 23 1.9011027E-04 -6.0511016E-05 -2.3397150E-05 -6.0443509E-06 24 5.2703953E-04 -1.6778259E-04 -6.4902198E-05 -1.6778426E-05 25 1.2987437E-03 -4.1374137E-04 -1.5997965E-04 -4.1322599E-05 26 2.9141560E-03 -9.2993151E-04 -3.5986311E-04 -9.3051038E-05 27 6.0727573E-03 -1.9473136E-03 -7.5350334E-04 -1.9461400E-04 28 1.1736742E-02 -3.8096502E-03 -1.4776511E-03 -3.8228495E-04 29 2.0702746E-02 -6.9244865E-03 -2.6933969E-03 -6.9595302E-04 30 3.1918435E-02 -1.1427547E-02 -4.4898409E-03 -1.1641200E-03 31 3.8967041E-02 -1.6185438E-02 -6.4749726E-03 -1.6784215E-03 32 3.0699189E-02 -1.7043584E-02 -7.1236331E-03 -1.8660440E-03 33 1.0668610E-02 -7.5925936E-03 -3.3643883E-03 -8.7699248E-04 34 7.7442745E-04 1.0088392E-02 5.3689535E-03 1.4336056E-03 35 6.0435347E-05 1.6507955E-02 1.2485550E-02 3.5860111E-03 36 -2.1524655E-05 5.7171261E-03 5.5167665E-03 1.5724823E-03 37 8.8089275E-06 3.0806573E-04 -5.9563497E-03 -2.0116602E-03 38 -3.7632191E-06 3.5366245E-05 -6.2032960E-03 -3.0484817E-03 39 1.1715042E-06 -4.9405558E-06 -1.0777782E-03 -1.2200936E-03 40 -3.3196854E-07 1.7748292E-06 1.4422806E-05 1.6908783E-03 41 8.8256462E-08 -4.8721347E-07 -6.0816634E-06 1.5937400E-03 42 -1.4907432E-08 7.8336358E-08 8.5399422E-07 1.8057548E-04 2P- 3P- 4P- -4.7334807E+01 -5.3268604E+00 -2.7246565E-01 ------------ ------------ ------------ *** Large-Component *** 1 6.1799468E-05 2.3857740E-05 4.6774008E-06 2 8.2306632E-05 3.1795471E-05 6.2234829E-06 3 2.9091159E-04 1.1240430E-04 2.2070705E-05 4 7.7687918E-04 3.0083679E-04 5.8823247E-05 5 2.6717224E-03 1.0367440E-03 2.0388559E-04 6 9.2490420E-03 3.6128515E-03 7.0698980E-04 7 3.1014811E-02 1.2255048E-02 2.4143195E-03 8 9.1891931E-02 3.7287977E-02 7.3292655E-03 9 2.1921542E-01 9.2638420E-02 1.8390461E-02 10 3.6483120E-01 1.6349303E-01 3.2469810E-02 11 3.3897341E-01 1.4373251E-01 2.8685037E-02 12 1.2272965E-01 -1.2390051E-01 -3.1987549E-02 13 1.0589414E-02 -4.5242389E-01 -1.0648656E-01 14 1.5068037E-03 -4.4418434E-01 -1.2398116E-01 15 -7.6994165E-05 -1.3413604E-01 -1.7833470E-04 16 1.2037274E-04 -3.6466498E-03 3.1616933E-01 17 -5.3187357E-05 -1.5107022E-03 5.3626553E-01 18 1.4092923E-05 2.3944400E-04 2.8931334E-01 *** Small-Component *** 19 1.1798946E-05 4.5578286E-06 8.9778650E-07 20 3.0717391E-05 1.1885973E-05 2.3151254E-06 21 9.6466694E-05 3.7304293E-05 7.3527264E-06 22 2.8189611E-04 1.0926603E-04 2.1325710E-05 23 7.8604578E-04 3.0513441E-04 6.0066047E-05 24 2.0444262E-03 7.9874439E-04 1.5625071E-04 25 4.7902003E-03 1.8929385E-03 3.7297983E-04 26 9.7815075E-03 3.9695513E-03 7.8020776E-04 27 1.6026209E-02 6.7746035E-03 1.3449686E-03 28 1.8401289E-02 8.2507944E-03 1.6386676E-03 29 1.1884341E-02 5.0465711E-03 1.0073785E-03 30 2.9736645E-03 -3.0394742E-03 -7.8417614E-04 31 1.5640501E-04 -7.6461436E-03 -1.7993995E-03 32 4.3387060E-06 -5.1038396E-03 -1.4244283E-03 33 -8.2410804E-06 -1.0279466E-03 -1.6361413E-06 34 -3.9991657E-06 -1.8034728E-05 1.5309219E-03 35 -1.8162012E-06 -4.7344669E-06 1.6281589E-03 36 -1.7090263E-06 3.0035770E-07 5.3839032E-04 2P+ 3P+ 4P+ -4.6150262E+01 -5.1596213E+00 -2.6581867E-01 ------------ ------------ ------------ *** Large-Component *** 1 9.1781945E-05 3.5507073E-05 6.9621324E-06 2 3.5549671E-04 1.3778386E-04 2.6798605E-05 3 1.8102770E-03 7.0270771E-04 1.3787057E-04 4 7.5043809E-03 2.9307389E-03 5.7146050E-04 5 2.7670621E-02 1.0929643E-02 2.1461802E-03 6 8.6140833E-02 3.4920961E-02 6.8413455E-03 7 2.1212177E-01 8.9545669E-02 1.7712053E-02 8 3.6231695E-01 1.6225961E-01 3.2122905E-02 9 3.4667823E-01 1.5003565E-01 2.9895168E-02 10 1.3077203E-01 -1.0995985E-01 -2.8559874E-02 11 1.1992800E-02 -4.4420932E-01 -1.0393751E-01 12 1.5989897E-03 -4.5337739E-01 -1.2540259E-01 13 -7.7241697E-05 -1.4460779E-01 -8.8775678E-03 14 1.2796971E-04 -4.5479327E-03 3.0480353E-01 15 -5.6679026E-05 -1.5953560E-03 5.3548888E-01 16 1.5006399E-05 2.4466350E-04 3.0534854E-01 *** Small-Component *** 17 8.2208509E-05 3.1756540E-05 6.2292355E-06 18 2.0906621E-04 8.0906450E-05 1.5728182E-05 19 6.7578219E-04 2.6192796E-04 5.1390909E-05 20 1.8305796E-03 7.1387464E-04 1.3916491E-04 21 4.4628610E-03 1.7604170E-03 3.4564421E-04 22 9.3430268E-03 3.7829083E-03 7.4099783E-04 23 1.5653930E-02 6.6012375E-03 1.3055879E-03 24 1.8374189E-02 8.2213373E-03 1.6274486E-03 25 1.2219374E-02 5.2855163E-03 1.0531529E-03 26 3.2083303E-03 -2.6919304E-03 -6.9916284E-04 27 2.0274699E-04 -7.5048669E-03 -1.7558510E-03 28 1.8422384E-05 -5.2083028E-03 -1.4404652E-03 29 -6.1287648E-07 -1.1074701E-03 -6.8016559E-05 30 6.2883634E-07 -2.2018366E-05 1.4760495E-03 31 -1.7593296E-07 -4.8476679E-06 1.6258638E-03 32 2.9122711E-08 4.5648991E-07 5.6830151E-04 3D- -1.6185173E+00 ------------ *** Large-Component *** 1 1.3856484E-04 2 5.2870983E-04 3 2.8007959E-03 4 1.2011958E-02 5 4.0934075E-02 6 1.1121700E-01 7 2.3024595E-01 8 3.2962514E-01 9 3.3048895E-01 10 2.1279052E-01 11 5.8054985E-02 *** Small-Component *** 12 3.3206877E-05 13 9.7305117E-05 14 3.4848849E-04 15 1.0373954E-03 16 2.4403238E-03 17 4.6217183E-03 18 6.6663239E-03 19 6.5851613E-03 20 4.4898721E-03 21 1.9273619E-03 22 3.3229160E-04 3D+ -1.5943519E+00 ------------ *** Large-Component *** 1 1.0741120E-04 2 4.8756808E-04 3 2.6315373E-03 4 1.1632493E-02 5 4.0100029E-02 6 1.0974582E-01 7 2.2819001E-01 8 3.2836268E-01 9 3.3158581E-01 10 2.1596122E-01 11 6.0154254E-02 *** Small-Component *** 12 3.0716831E-05 13 9.2942363E-05 14 3.3657069E-04 15 1.0135457E-03 16 2.4014070E-03 17 4.5693931E-03 18 6.6143628E-03 19 6.5637159E-03 20 4.5067028E-03 21 1.9567434E-03 22 3.4469061E-04 RADIAL MOMENTS Sym Orb S+ 1 2.16857E+03 3.23872E+01 4.69780E-02 2.97047E-03 2.36585E-04 2.27820E-05 2 2.21316E+02 7.17964E+00 2.08995E-01 5.15868E-02 1.45373E-02 4.63281E-03 3 3.41729E+01 2.28933E+00 6.21965E-01 4.45559E-01 3.57160E-01 3.18279E-01 4 2.48149E+00 5.91424E-01 2.18778E+00 5.54172E+00 1.60145E+01 5.25286E+01 P- 1 7.14083E+01 7.10727E+00 1.81194E-01 4.03172E-02 1.06826E-02 3.29893E-03 2 1.06128E+01 2.15582E+00 6.39768E-01 4.81026E-01 4.12241E-01 3.99881E-01 3 5.46622E-01 4.48487E-01 2.86625E+00 9.69703E+00 3.80665E+01 1.71200E+02 P+ 1 6.53974E+01 6.91650E+00 1.84733E-01 4.17805E-02 1.12361E-02 3.51919E-03 2 9.74844E+00 2.11229E+00 6.49689E-01 4.95943E-01 4.31565E-01 4.25149E-01 3 5.07142E-01 4.40811E-01 2.91143E+00 9.99930E+00 3.98119E+01 1.81357E+02 D- 1 4.30106E+00 1.79571E+00 7.21439E-01 6.58201E-01 7.42677E-01 1.01454E+00 D+ 1 4.23522E+00 1.78294E+00 7.26542E-01 6.67674E-01 7.58972E-01 1.04453E+00