SULFUR K(2)L(8)3S(2)3P(4), 3P CHARGE = 16.000000 SYMMETRY SPECIES S P NUMBER OF BASIS FUNCTIONS 16 11 NUMBER OF CLOSED SHELLS 3 1 NUMBER OF OPEN SHELLS 0 1 OPEN SHELL OCCUPATION NUMBER 0 4 *** FINAL SCF RESULTS *** E = -398.589026149 ORBITAL ENERGIES AND EXPANSION COEFFICIENTS S 1S 2S 3S BASIS/ORB.ENERGY -92.2943170 -9.0535284 -0.8837449 S 1.4624900D+06 0.0000949 -0.0000264 -0.0000077 S 1.8318600D+05 0.0003547 -0.0000986 -0.0000287 S 3.7362930D+04 0.0011669 -0.0003246 -0.0000942 S 9.8356230D+03 0.0037462 -0.0010473 -0.0003048 S 3.0561810D+03 0.0119436 -0.0033512 -0.0009715 S 1.0666020D+03 0.0363168 -0.0104018 -0.0030393 S 4.0570210D+02 0.0982349 -0.0290825 -0.0084563 S 1.6515130D+02 0.2193767 -0.0714582 -0.0211813 S 7.0536460D+01 0.3597905 -0.1406737 -0.0418334 S 3.1093080D+01 0.3249012 -0.1895865 -0.0601227 S 1.3786740D+01 0.0962670 -0.0132518 -0.0017705 S 5.6284700D+00 0.0030813 0.4727353 0.1783915 S 2.4316130D+00 0.0011935 0.5593349 0.3805907 S 1.0160220D+00 -0.0003571 0.1013694 0.0126380 S 3.8879040D-01 0.0001159 -0.0012976 -0.7170143 S 1.4182360D-01 -0.0000422 0.0010433 -0.4553098 P 2P 3P BASIS/ORB.ENERGY -6.6817980 -0.4365443 P 2.0282170D+03 0.0003641 0.0000935 P 4.6207420D+02 0.0027823 0.0007043 P 1.4752100D+02 0.0145342 0.0037663 P 5.5026120D+01 0.0565753 0.0145733 P 2.2478250D+01 0.1623156 0.0438971 P 9.6724070D+00 0.3204720 0.0864364 P 4.2437700D+00 0.4003962 0.1223351 P 1.8672210D+00 0.2301640 0.0295494 P 6.8571640D-01 0.0268264 -0.3270710 P 2.6217470D-01 -0.0016492 -0.5439183 P 9.5072720D-02 0.0009415 -0.2792492