CHLORINE K(2)L(8)3S(2)3P(5), 2P CHARGE = 17.000000 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 5 *** FINAL SCF RESULTS *** E = -460.895255882 ORBITAL ENERGIES AND EXPANSION COEFFICIENTS S 1S 2S 3S BASIS/ORB.ENERGY -105.2598300 -10.6733940 -1.0791419 S 1.4681380D+06 0.0001118 -0.0000316 -0.0000095 S 1.8161420D+05 0.0004211 -0.0001189 -0.0000360 S 3.7093820D+04 0.0013699 -0.0003874 -0.0001173 S 9.8301760D+03 0.0043731 -0.0012414 -0.0003757 S 3.0535910D+03 0.0139379 -0.0039839 -0.0012082 S 1.0656650D+03 0.0420525 -0.0122576 -0.0037167 S 4.0523290D+02 0.1122642 -0.0341506 -0.0104256 S 1.6511050D+02 0.2422433 -0.0815492 -0.0250499 S 7.0764460D+01 0.3728166 -0.1559381 -0.0492284 S 3.0964810D+01 0.3018821 -0.1875583 -0.0612376 S 1.2781670D+01 0.0660723 0.0556172 0.0189292 S 5.6325000D+00 -0.0029390 0.5440752 0.2415652 S 2.4608260D+00 0.0023649 0.4968049 0.3763121 S 8.3277000D-01 -0.0009642 0.0558749 -0.1971496 S 3.8426000D-01 0.0004972 -0.0094582 -0.6925665 S 1.5207480D-01 -0.0001359 0.0024678 -0.3284964 P 2P 3P BASIS/ORB.ENERGY -8.0728397 -0.5055126 P 2.1826550D+03 0.0004305 0.0001166 P 4.6749890D+02 0.0035851 0.0009634 P 1.4475210D+02 0.0190612 0.0052175 P 5.3805760D+01 0.0709965 0.0195011 P 2.2302900D+01 0.1890280 0.0543788 P 9.7571330D+00 0.3433744 0.0994406 P 4.3889950D+00 0.3816835 0.1259261 P 1.9935790D+00 0.1833206 -0.0059708 P 7.8229290D-01 0.0183511 -0.3638986 P 3.0360500D-01 0.0001605 -0.5226703 P 1.1144440D-01 0.0006800 -0.2519793