SET DEF 5601 SET VERIFY=NOIMAGE ASSIGN B5601E.PUN FOR007 ASSIGN H5601E.HAM FOR001 ASSIGN EAV5601E.DAT FOR066 ASSIGN C5601E.EIG FOR003 ASSIGN POOL:B5601E15 FOR015 ASSIGN POOL:B5601E16 FOR016 RUN CRAY:LEAST3007 Curry, J.J. 2004. J.Phys.Chem,Ref.Data 33, 735-746. 1 0 0 0 .3 1.3 1 1.0 20 40 40 30 30 20 10 10 10 10 0 0 0 0 0 56.01 p6 6s 5p6 7s 5p6 8s 5p6 9s 5p6 10s 5p6 11s 5p6 12s 5p6 13s p6 14s 5p6 5d 5p6 6d 5p6 7d 5p6 8d 5p6 9d 5p6 10d 5p6 11d p6 12d 5p6 13d 5p6 14d 5p6 5g 5p6 6g 5p6 7g 5p6 8g 5p6 9g p6 10g 5p6 11g 5p6 12g 5p6 13g 5p6 14g 5p6 7i 5p6 8i 5p6 9i p6 10i 5p6 11i -1. 0.5 0. 2.0025 6s 2S 6s 2S 0.5 42355.175 1.98 7s 2S 7s 2S 0.5 58025.211 8s 2S 8s 2S 0.5 65683.646 9s 2S 9s 2S 0.5 70014.584 10s 2S 10s 2S 0.5 72705.28 11s 2S 11s 2S 0.5 74491.63 12s 2S 12s 2S 0.5 13s 2S 13s 2S 0.5 14s 2S 14s 2S 1.5 4873.852 0.7993 5d 2D 5d 2D 1.5 45949.472 0.79 6d 2D 6d 2D 1.5 59800.254 7d 2D 7d 2D 1.5 66673.651 8d 2D 8d 2D 1.5 70620.247 9d 2D 9d 2D 1.5 73101.58 10d 2D 10d 2D 1.5 74765.50 11d 2D 11d 2D 1.5 12d 2D 12d 2d 1.5 13d 2D 13d 2d 1.5 14d 2D 14d 2d 2.5 5674.807 1.12 5d 2D 5d 2D 2.5 46154.847 1.18 6d 2D 6d 2D 2.5 59894.928 7d 2D 7d 2D 2.5 66725.591 8d 2D 8d 2D 2.5 70651.905 9d 2D 9d 2D 2.5 73122.35 10d 2D 10d 2D 2.5 74779.78 11d 2D 11d 2D 2.5 75945.97 12d 2D 12d 2D 2.5 13d 2D 13d 2D 2.5 14d 2D 14d 2D 3.5 63026.725 5g 2G 5g 2G 3.5 68426.095 6g 2G 6g 2G 3.5 71682.623 7g 2G 7g 2G 3.5 73795.87 8g 2G 8g 2G 3.5 75244.13 9g 2G 9g 2G 3.5 76279.68 10g 2G 10g 2G 3.5 11g 2G 11g 2G 3.5 12g 2G 12g 2G 3.5 13g 2G 13g 2G 3.5 14g 2G 14g 2G 4.5 63026.725 5g 2G 5g 2G 4.5 68426.095 6g 2G 6g 2G 4.5 71682.623 7g 2G 7g 2G 4.5 73795.87 8g 2G 8g 2G 4.5 75244.13 9g 2G 9g 2G 4.5 76279.68 10g 2G 10g 2G 4.5 11g 2G 11g 2G 4.5 12g 2G 12g 2G 4.5 13g 2G 13g 2G 4.5 14g 2G 14g 2G 5.5 7i 2I 7i 2i 5.5 8i 2I 8i 2i 5.5 9i 2I 9i 2i 5.5 10i 2I 10i 2i 5.5 11i 2I 11i 2i 6.5 7i 2I 7i 2i 6.5 8i 2I 8i 2i 6.5 9i 2I 9i 2i 6.5 10i 2I 10i 2i 6.5 11i 2I 11i 2i 59 0.2 28 LEAST SQUARES 1 1 EAV 0.0 0. 0.0 1.000 0 0.0 0 5p6 6s 2 2 EAV 42355.2 0. 41960.3 1.000 0 0.0 0 5p6 7s 3 3 EAV 58025.2 0. 57349.6 1.000 0 0.0 0 5p6 8s 4 4 EAV 65683.6 0. 64894.5 1.000 0 0.0 0 5p6 9s 5 5 EAV 70014.6 0. 69173.7 1.000 0 0.0 0 5p6 10s 6 6 EAV 72705.3 0. 71836.6 1.000 0 0.0 0 5p6 11s 7 7 EAV 74491.6 0. 73609.4 1.000 0 0.0 0 5p6 12s 8 8 EAV 75747.9 0. 74847.9 FIXEDHF 1.000 0 900.0 0 5p6 13s 9 9 EAV 76644.1 0. 75744.1 FIXEDHF 1.000 0 900.0 0 5p6 14s 10 A EAV 5354.4 0. 4964.7 1.000 0 0.0 0 5p6 5d 11 A ZETA 2 320.4 0. 390.9 1.000 0 0.0 0 12 B EAV 46072.7 0. 45532.6 1.000 0 0.0 0 5p6 6d 13 B ZETA 2 82.1 0. 80.2 1.000 0 0.0 0 14 C EAV 59857.1 0. 59119.8 1.000 0 0.0 0 5p6 7d 15 C ZETA 2 37.9 0. 36.5 1.000 0 0.0 0 16 D EAV 66704.8 0. 65886.1 1.000 0 0.0 0 5p6 8d 17 D ZETA 2 20.8 0. 20.1 1.000 0 0.0 0 18 E EAV 70639.2 0. 69782.3 1.000 0 0.0 0 5p6 9d 19 E ZETA 2 12.7 0. 12.3 1.000 0 0.0 0 20 F EAV 73114.0 0. 72236.6 1.000 0 0.0 0 5p6 10d 21 F ZETA 2 8.3 0. 8.1 1.000 0 0.0 0 22 G EAV 74774.1 0. 73885.0 1.000 0 0.0 0 5p6 11d 23 G ZETA 2 5.7 0. 5.6 1.000 0 0.0 0 24 H EAV 75942.0 0. 75046.2 1.000 0 0.0 0 5p6 12d 25 H ZETA 2 4.0 0. 4.0 FIXEDHF 1.000 0 0.0 0 26 I EAV 76792.9 0. 75892.9 FIXEDHF 1.000 0 900.0 0 5p6 13d 27 I ZETA 2 3.0 0. 3.0 FIXEDHF 1.000 0 0.0 0 28 J EAV 77430.1 0. 76530.1 FIXEDHF 1.000 0 900.0 0 5p6 14d 29 J ZETA 2 2.3 0. 2.3 FIXEDHF 1.000 0 0.0 0 30 K EAV 63026.8 0. 62120.0 1.000 0 0.0 0 5p6 5g 31 K ZETA 3 0.1 0. 0.1 FIXEDHF 1.000 0 0.0 0 32 L EAV 68426.1 0. 67503.4 1.000 0 0.0 0 5p6 6g 33 L ZETA 3 0.1 0. 0.1 FIXEDHF 1.000 0 0.0 0 34 M EAV 71682.6 0. 70759.0 1.000 0 0.0 0 5p6 7g 35 M ZETA 3 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 36 N EAV 73795.9 0. 72873.4 1.000 0 0.0 0 5p6 8g 37 N ZETA 3 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 38 O EAV 75244.1 0. 74322.5 1.000 0 0.0 0 5p6 9g 39 O ZETA 3 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 40 P EAV 76279.7 0. 75360.4 1.000 0 0.0 0 5p6 10g 41 P ZETA 3 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 42 Q EAV 77047.4 0. 76127.4 FIXEDHF 1.000 0 920.0 0 5p6 11g 43 Q ZETA 3 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 44 R EAV 77628.0 0. 76708.0 FIXEDHF 1.000 0 920.0 0 5p6 12g 45 R ZETA 3 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 46 S EAV 78084.0 0. 77164.0 FIXEDHF 1.000 0 920.0 0 5p6 13g 47 S ZETA 3 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 48 T EAV 78443.7 0. 77523.7 FIXEDHF 1.000 0 920.0 0 5p6 14g 49 T ZETA 3 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 50 U EAV 71724.8 0. 70804.8 FIXEDHF 1.000 0 920.0 0 5p6 7i 51 U ZETA 4 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 52 V EAV 73826.0 0. 72906.0 FIXEDHF 1.000 0 920.0 0 5p6 8i 53 V ZETA 4 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 54 W EAV 75267.4 0. 74347.4 FIXEDHF 1.000 0 920.0 0 5p6 9i 55 W ZETA 4 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 56 X EAV 76297.5 0. 75377.5 FIXEDHF 1.000 0 920.0 0 5p6 10i 57 X ZETA 4 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0 58 Y EAV 77058.6 0. 76138.6 FIXEDHF 1.000 0 920.0 0 5p6 11i 59 Y ZETA 4 0.0 0. 0.0 FIXEDHF 1.000 0 0.0 0