GOLD Basis Set Expn. C(n=5) C(n=6) (-0.2927) 0.4409 -0.7478 s 0.2626 0.8176 0.0617 0.8113 (-0.1274) 0.6642 -0.0459 p 0.1073 0.3778 0.0318 0.7233 (-0.4516) 1.3517 0.4787 d 0.5149 0.4582 0.1994 0.2203 0.0776 0.0412 Potential n Exp. Coef. g 6 2 .965700 -.986902 2 2.290400 -9.686306 2 6.438400 -32.572463 2 16.364600 -118.530878 2 55.989300 -286.254646 1 171.101400 -51.274231 s-g 8 2 1.224800 -84.969303 2 1.433600 280.177643 2 1.892900 -354.643566 2 2.696300 334.331909 2 3.989900 -219.392605 2 6.005500 170.858744 1 14.582600 56.338731 0 39.310700 6.409300 p-g 8 2 .906400 -6.911901 2 1.031100 72.125463 2 1.328700 -114.975335 2 1.903700 123.616682 2 2.836400 -71.135709 2 4.588400 79.016603 1 11.198100 51.287008 0 32.295700 5.651983 d-g 8 2 .293100 -.113657 2 1.030100 -2.404025 2 2.018600 62.581116 2 3.439200 255.447176 2 5.157900 -161.806480 2 2.514900 -175.770760 1 8.062400 63.620792 0 41.028500 6.750320 f-g 8 2 .433500 -47.607799 2 .509700 176.318029 2 .579600 -168.676897 2 .771100 54.492446 2 2.593500 37.715393 2 8.390700 -24.139676 1 6.929400 49.168024 0 22.258900 4.759586 spin-orbit operator p-g 8 2 .906400 31.558094 2 1.031100 -46.293560 2 1.328700 7.025790 2 1.903700 24.049798 2 2.836400 -25.827446 2 4.588400 12.567792 1 11.198100 -.810922 0 32.295700 .109624 d-g 8 2 .293100 -.016533 2 1.030100 .328001 2 2.018600 -11.521077 2 3.439200 -32.439090 2 5.157900 18.860086 2 2.514900 29.831210 1 8.062400 -.309918 0 41.028500 .072853 f-g 8 2 .433500 -.596694 2 .509700 2.093053 2 .579600 -1.875835 2 .771100 .458359 2 2.593500 -.189342 2 8.390700 -.861705 1 6.929400 .086472 0 22.258900 -.003493 g 6 2 .965700 -.018226 2 2.290400 .044990 2 6.438400 -.068373 2 16.364600 .225816 2 55.989300 .185953 1 171.101400 1.121149 Basis Set Expn. C(n=5) C(n=6) (-4.6678) (-0.2909) 2.4651 -2.9981 1.2599 1.9431 3.3848 -1.5250 s 0.5613 0.4361 -0.2533 0.1452 -0.0106 0.6171 0.05039 0.0050 0.5872 (-2.7617) 3.5306 -0.6687 2.6122 0.7926 p 0.9813 0.6759 0.4266 0.1617 0.1475 0.0160 (-0.4517) 1.3366 0.4879 0.5035 0.4579 d 0.1940 0.2138 0.07560 0.0384 Potential n Exp. Coef. g 6 2 2.070700 -.908203 2 5.287800 -13.972860 2 13.286100 -78.045937 2 38.225000 -150.670137 2 120.829500 -433.793234 1 415.273300 -53.924618 s-g 8 2 2.816200 -45.118439 2 3.120300 109.247827 2 4.162400 -184.758650 2 6.388200 436.133473 2 10.120000 -356.462799 2 17.046500 411.842418 1 50.503300 31.952589 0 39.282400 6.791678 p-g 8 2 2.415700 -30.624157 2 2.792100 101.119666 2 3.677000 -210.514472 2 5.373600 435.373129 2 8.370000 -396.144495 2 13.323300 368.873147 1 37.159800 31.593674 0 37.422200 5.838805 d-g 8 2 1.873900 -34.109121 2 2.118700 100.587500 2 2.693600 -172.305668 2 3.816400 290.822376 2 5.697400 -292.964286 2 8.629600 275.677905 1 19.680200 30.370059 0 25.986600 7.862033 f-g 8 2 1.431500 40.061376 2 1.654500 -128.386305 2 2.163000 247.771395 2 3.087200 -342.548797 2 4.657400 359.275494 2 6.904200 -182.274949 1 10.147800 53.491305 0 47.025800 4.280362 spin-orbit operator p-g 8 2 2.415700 20.831138 2 2.792100 -55.173904 2 3.677000 67.313564 2 5.373600 -17.020942 2 8.370000 -45.124680 2 13.323300 23.440232 1 37.159800 -5.458496 0 37.422200 .156970 d-g 8 2 1.873900 1.020373 2 2.118700 -1.781020 2 2.693600 -.987213 2 3.816400 10.584266 2 5.697400 -18.154486 2 8.629600 10.498401 1 19.680200 -.745309 0 25.986600 .038670 f-g 8 2 1.431500 1.100953 2 1.654500 -3.519561 2 2.163000 6.730668 2 3.087200 -9.073041 2 4.657400 7.478326 2 6.904200 -3.261827 1 10.147800 .076227 0 47.025800 -.007474 g 6 2 2.070700 -.006998 2 5.287800 .008684 2 13.286100 .074875 2 38.225000 .601742 2 120.829500 1.616524 1 415.273300 2.676910