RHENIUM Basis Set Expn. C(n=5) C(n=6) (-0.2722) 0.3520 -0.5127 s 0.1210 0.9356 0.0407 0.4396 (-0.2166) 0.5717 -0.1005 p 0.1339 0.6090 0.0460 0.5125 (-0.4323) 1.0631 0.4280 d 0.4131 0.4798 0.1660 0.2399 0.0671 0.0439 Potential n Exp. Coef. g 6 2 .744600 -.809024 2 1.802000 -8.501442 2 4.823900 -29.580822 2 12.784400 -101.492371 2 42.995400 -235.578426 1 128.289300 -49.221653 s-g 8 2 .761800 12.201304 2 .851300 -58.661792 2 1.069200 154.635800 2 1.464800 -191.600741 2 2.103800 181.256758 2 2.931200 -75.588248 1 4.980600 44.001100 0 14.679800 6.719489 p-g 8 2 .535700 38.365738 2 .602700 -120.067384 2 .748700 213.545375 2 .984600 -236.234452 2 1.248100 130.948289 2 5.425700 66.509530 1 11.567000 48.348118 0 31.936500 5.649830 d-g 8 2 .260100 -.136305 2 1.422900 76.105383 2 1.183200 -25.865706 2 1.911300 -131.805305 2 2.738100 203.931905 2 3.772200 -130.431261 1 6.408800 53.739619 0 28.947100 6.906219 f-g 8 2 .455400 42.603733 2 .516100 -132.345780 2 .647600 197.703945 2 .857600 -187.960634 2 1.096500 99.533693 2 4.661500 50.981295 1 10.156600 43.489905 0 28.486200 4.849675 spin-orbit operator p-g 8 2 .535700 -1.817544 2 .602700 -1.234588 2 .748700 22.861392 2 .984600 -37.248554 2 1.248100 14.407538 2 5.425700 -8.391956 1 11.567000 -.928692 0 31.936500 -.202488 d-g 8 2 .260100 -.018356 2 1.422900 -5.528375 2 1.183200 2.269919 2 1.911300 5.049774 2 2.738100 1.252613 2 3.772200 -4.475003 1 6.408800 .241857 0 28.947100 -.040162 f-g 8 2 .455400 .226161 2 .516100 -.787029 2 .647600 1.238513 2 .857600 -1.091884 2 1.096500 .464603 2 4.661500 -.042651 1 10.156600 .010840 0 28.486200 -.002188 g 6 2 .744600 -.012269 2 1.802000 .022242 2 4.823900 -.028280 2 12.784400 .168690 2 42.995400 -.007824 1 128.289300 .803937 Basis Set Expn. C(n=5) C(n=6) (-3.6750) (-0.2724) 2.6760 -0.7116 0.2875 1.1100 1.0791 -0.5700 s 0.6429 0.4061 -0.2168 0.1173 0.0821 0.5643 0.04592 -0.0308 0.5997 (-2.1107) 3.1417 -0.4012 1.9360 0.5184 p 0.8283 0.6122 0.3795 0.2303 0.1476 0.0207 (-0.4307) 1.0623 0.4301 d 0.4147 0.4736 0.1673 0.2434 0.0677 0.0451 Potential n Exp. Coef. g 6 2 1.344200 -.630063 2 3.636300 -10.514891 2 9.456500 -58.952091 2 25.358200 -115.019417 2 83.407700 -347.158553 1 276.780700 -49.267783 s-g 8 2 2.362100 -44.266723 2 2.729400 129.196064 2 3.675400 -242.927585 2 5.532100 501.745842 2 8.983400 -445.970476 2 15.255900 394.006913 1 50.813300 26.496069 0 35.465500 6.669765 p-g 8 2 2.034700 -40.030345 2 2.358100 126.643558 2 3.057100 -228.627158 2 4.399100 402.922173 2 6.618500 -364.569102 2 10.012100 314.119103 1 25.282200 41.137712 0 38.699400 5.777649 d-g 8 2 1.339800 -19.841508 2 1.501700 41.829875 2 2.264500 -115.674752 2 3.066900 256.138969 2 4.502200 -264.056475 2 6.764600 231.046656 1 15.221600 28.693194 0 21.538200 7.876353 f-g 8 2 1.481400 -69.016502 2 1.685900 172.233712 2 2.112300 -173.363403 2 2.640400 97.755451 2 9.641300 78.554238 2 24.781000 126.521916 1 57.283400 37.845570 0 142.223300 .796493 spin-orbit operator p-g 8 2 2.034700 6.634080 2 2.358100 -14.895820 2 3.057100 5.483552 2 4.399100 47.698558 2 6.618500 -82.612762 2 10.012100 26.448146 1 25.282200 -10.582256 0 38.699400 -.101072 d-g 8 2 1.339800 -.205758 2 1.501700 .632550 2 2.264500 -4.054405 2 3.066900 12.793898 2 4.502200 -17.749115 2 6.764600 9.530606 1 15.221600 -.652496 0 21.538200 .037728 f-g 8 2 1.481400 2.413312 2 1.685900 -5.050261 2 2.112300 4.121899 2 2.640400 -1.552357 2 9.641300 .327951 2 24.781000 -.393338 1 57.283400 .074819 0 142.223300 -.003349 g 6 2 1.344200 -.005025 2 3.636300 -.059532 2 9.456500 .039542 2 25.358200 .482422 2 83.407700 .569687 1 276.780700 1.737998