SILVER K(2)L(8)M(18)4S(2)4P(6)5S(1)4D(10), 2S CHARGE = 47.000000 SYMMETRY SPECIES S P D NUMBER OF BASIS FUNCTIONS 23 19 12 NUMBER OF CLOSED SHELLS 4 3 2 NUMBER OF OPEN SHELLS 1 0 0 OPEN SHELL OCCUPATION NUMBER 1 0 0 *** FINAL SCF RESULTS *** E = -5312.999006338 ORBITAL ENERGIES AND EXPANSION COEFFICIENTS S 1S 2S 3S 4S 5S BASIS/ORB.ENERGY -942.4683300 -141.9220200 -27.3730520 -4.2717899 -0.2366372 S 1.4242040D+09 0.0000153 -0.0000052 -0.0000023 0.0000009 0.0000002 S 1.3434240D+08 0.0000623 -0.0000211 -0.0000092 0.0000038 0.0000009 S 2.2221430D+07 0.0001869 -0.0000634 -0.0000276 0.0000115 0.0000026 S 4.7612140D+06 0.0005053 -0.0001715 -0.0000746 0.0000312 0.0000070 S 1.2029560D+06 0.0012431 -0.0004227 -0.0001841 0.0000769 0.0000172 S 3.4977170D+05 0.0028606 -0.0009755 -0.0004247 0.0001775 0.0000396 S 1.1258530D+05 0.0064553 -0.0022139 -0.0009659 0.0004031 0.0000899 S 3.9349020D+04 0.0143028 -0.0049514 -0.0021578 0.0009032 0.0002020 S 1.4864230D+04 0.0313663 -0.0110434 -0.0048439 0.0020198 0.0004500 S 5.9870730D+03 0.0683030 -0.0247786 -0.0108482 0.0045568 0.0010208 S 2.5477870D+03 0.1405159 -0.0539951 -0.0240510 0.0100254 0.0022306 S 1.1354020D+03 0.2537077 -0.1089366 -0.0487315 0.0206459 0.0046379 S 5.1999390D+02 0.3449688 -0.1840954 -0.0867558 0.0363274 0.0080711 S 2.4107010D+02 0.2573953 -0.1796239 -0.0863794 0.0379634 0.0086398 S 1.0712390D+02 0.0568075 0.1421237 0.0828044 -0.0397403 -0.0093068 S 5.2477240D+01 -0.0031204 0.5804607 0.4898863 -0.2260943 -0.0507464 S 2.5543550D+01 0.0018585 0.4099637 0.4038373 -0.2193534 -0.0521317 S 1.0282920D+01 -0.0008598 0.0481616 -0.6329905 0.4815603 0.1212264 S 5.0324640D+00 0.0003937 -0.0062478 -0.6776925 0.7027467 0.1784810 S 1.7024590D+00 -0.0001325 0.0015938 -0.0540199 -0.7812054 -0.2656006 S 7.2072090D-01 0.0000533 -0.0006672 0.0065837 -0.6211321 -0.2982036 S 1.0485820D-01 -0.0000112 0.0001302 -0.0013350 -0.0187343 0.5708721 S 3.8060620D-02 0.0000051 -0.0000594 0.0005970 0.0057605 0.5679551 P 2P 3P 4P BASIS/ORB.ENERGY -127.0952400 -22.3703790 -2.7427266 P 1.4890430D+06 0.0000209 -0.0000095 0.0000037 P 2.1738320D+05 0.0000831 -0.0000377 0.0000149 P 4.8066390D+04 0.0003060 -0.0001389 0.0000548 P 1.3707480D+04 0.0010921 -0.0004971 0.0001964 P 4.6788940D+03 0.0038587 -0.0017637 0.0006962 P 1.8063970D+03 0.0133006 -0.0061345 0.0024298 P 7.6182950D+02 0.0421850 -0.0197703 0.0078380 P 3.4442310D+02 0.1140851 -0.0552383 0.0220828 P 1.6425420D+02 0.2414019 -0.1224509 0.0492430 P 8.1556610D+01 0.3553378 -0.1913998 0.0783694 P 4.1824890D+01 0.2979061 -0.1330903 0.0504796 P 2.1705110D+01 0.1095220 0.1620281 -0.0909453 P 1.1276060D+01 0.0114240 0.4830379 -0.2812356 P 5.9409340D+00 0.0009688 0.4013388 -0.2495791 P 3.0334390D+00 -0.0002574 0.0972790 0.2176983 P 1.5312680D+00 0.0000662 0.0038034 0.5441408 P 7.4570420D-01 -0.0000786 0.0014362 0.3739508 P 3.4430970D-01 0.0000141 -0.0001152 0.0834603 P 1.1692110D-01 -0.0000046 0.0000540 0.0033903 D 3D 4D BASIS/ORB.ENERGY -14.4784070 -0.5106044 D 4.1870490D+03 0.0001076 -0.0000345 D 9.3414040D+02 0.0013743 -0.0004360 D 3.0365240D+02 0.0102006 -0.0032877 D 1.1914120D+02 0.0483751 -0.0155624 D 5.1770470D+01 0.1532828 -0.0505944 D 2.3949640D+01 0.3150444 -0.1020851 D 1.1350170D+01 0.4016895 -0.1243925 D 5.4371820D+00 0.2583463 -0.0019151 D 2.4745750D+00 0.0546641 0.2875060 D 1.0762690D+00 0.0008448 0.4419797 D 4.3477530D-01 0.0005790 0.3546122 D 1.5732580D-01 -0.0001443 0.1411457