$SET DEF 2801 $SET VERIFY=NOIMAGE $ASSIGN SYS$INPUT FOR005 $ASSIGN SYS$OUTPUT FOR006 $ASSIGN W2801.dat FOR007 $RUN CRAY:WAVEF 99 1.5 10. .5 0. MAXITS,ASCBEG,ASCAMAX,ASCALEL,AFACTOR 28.01 2.91557859577783E-01 9.26500894166499E+00 .0003054660.0003765987.0004477515.0005189256.0005901221.0006613421.0007325866 .0008038569.0008751537.0009464782.0010178314.0010892141.0011606275.0012320723 .0013035495.0013750602.0014466051.0015181852.0015898015.0016614547.0017331459 .0018048758.0018766454.0019484556.0020203072.0020922011.0021641382.0022361193 .0023081454.0023802172.0024523357.0025245016.0025967159.0026689795.0027412930 .0028136575.0028860738.0029585427.0030310651.0031036418.0031762737.0032489616 .0033217063.0033945088.0034673699.0035402903.0036132711.0036863129.0037594167 .0038325833.0039058136.0039791084.0040524685.0041258948.0041993882.0042729495 .0043465796.0044202793.0044940494.0045678909.0046418045.0047157911.0047898516 .0048639869.0049381978.0050124851.0050868497.0051612925.0052358143.0053104161 .0053850986.0054598627.0055347094.0056096394.0056846536.0057597530.0058349383 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EION,EIONHF 0.0 0.0 0.0 0.0 1 d8 d8 d8 15106.8 0.0 0. 0.0 0.0 0.0 0.0 2 d7 4s d7 4s d7 4s 82721.3 59371.5 0. 0.0 0.0 0.0 0.0 8 d7 4d d7 4d d7 4d 207423.7 184530.1 0. 0.0 0.0 0.0 0.0 J d6s2 d6s2 d6s2 197571.4 167785.0 0. HF 0.0 0.0 0.0 0.0 N d6 4s4d d6 4s4d d6 4s4d 331826.8 300826.8 FIXEDHF 31000. HF 0.0 0.0 0.0 0.0 R d6p2 d6p2 d6p2 317931.6 286931.6 FIXEDHF 31000. 0.0 0.0 0.0 0.0 1 d7 4p d7 4p d7 4p 137946.2 114861.1 0. 0.0 0.0 0.0 0.0 7 d7 4f d7 4f d7 4f 245872.6 222623.3 0. 0.0 0.0 0.0 0.0 H d6 4s4p d6 4s4p d6 4s4p 250267.8 218669.9 0. HF 0.0 0.0 0.0 0.0 L d6 4s4f d6 4s4f d6 4s4f 374263.5 343263.5 FIXEDHF 31000. HF 0.0 0.0 0.0 0.0 N d5s2 4p d5 s2 4p d5 s2 4p 408236.0 377236.0 FIXEDHF 31000. 0.0 0.0 0.0 0.0 1 d9 d8 3d 6942.1 0.0 0.0 0.0 0.0 0.0 0.0 2 d8 4d d8 4d 110717.4 93022.7 0.0 0.0 0.0 0.0 0.0 3 d8 5d d8 5d 131337.5 114245.3 17000.0 0.0 0.0 0.0 0.0 4 d8 6d d8 6d 140632.0 123803.3 17000.0 0.0 0.0 0.0 0.0 5 d8 7d d8 7d 145812.9 128983.1 17000.0 0.0 0.0 0.0 0.0 6 d8 8d d8 8d 148958.4 132111.1 17000.0 0.0 0.0 0.0 0.0 7 d8 9d d8 9d 151147.2 134147.2 FIXEDHF 17000.0 0.0 0.0 0.0 0.0 8 d8 10d d8 10d 152547.4 135547.4 FIXEDHF 17000.0 0.0 0.0 0.0 0.0 9 d8 11d d8 11d 153549.5 136549.5 FIXEDHF 17000.0 0.0 0.0 0.0 0.0 A d8 12d d8 12d 154292.7 137292.7 FIXEDHF 17000.0 0.0 0.0 0.0 0.0 B d8 13d d8 13d 154859.9 137859.9 FIXEDHF 17000.0 0.0 0.0 0.0 0.0 C d7 4s4d d7 4s 4d 176357.4 149357.4 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 C d7 4s4d d7 4d 4d 176357.4 149357.4 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 D d7 4s5d d7 4s 5d 199649.3 172649.3 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 E d7 4s6d d7 4s 6d 209691.0 182691.0 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 F d7 4s7d d7 4s 7d 215072.5 188072.5 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 G d7 4s8d d7 4s 8d 218304.5 191304.5 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 H d7 4s9d d7 4s 9d 220397.2 193397.2 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 I d7 4s10d d7 4s 10d 221832.5 194832.5 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 J d7 4s11d d7 4s 11d 222857.5 195857.5 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 K d7 4s12d d7 4s 12d 223616.8 196616.8 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 L d7 4s13d d7 4s 13d 224195.0 197195.0 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 M d6s2 4d d6s2 4d 291392.7 254392.7 FIXEDHF 37000.0 0.0 0.0 0.0 0.0 N d8 4s d8 4s 24409.7 6511.4 17000.0 0.0 0.0 0.0 0.0 O d8 5s d8 5s 103456.9 86859.0 17000.0 0.0 0.0 0.0 0.0 P d8 6s d8 6s 128175.6 111508.1 17000.0 0.0 0.0 0.0 0.0 Q d8 7s d8 7s 139114.2 122376.9 17000.0 0.0 0.0 0.0 0.0 R d8 8s d8 8s 144942.7 128149.3 17000.0 0.0 0.0 0.0 0.0 S d8 9s d8 9s 148384.6 131584.0 17000.0 0.0 0.0 0.0 0.0 T d8 10s d8 10s 150792.8 133792.8 FIXEDHF 17000.0 0.0 0.0 0.0 0.0 U d8 11s d8 11s 152297.6 135297.6 FIXEDHF 17000.0 0.0 0.0 0.0 0.0 V d8 12s d8 12s 153366.8 136366.8 FIXEDHF 17000.0 0.0 0.0 0.0 0.0 W d8 13s d8 13s 154155.7 137155.7 FIXEDHF 17000.0 0.0 0.0 0.0 0.0 X d7s2 d7 4s 4s 80509.5 54565.5 0.0 0.0 0.0 0.0 0.0 X d7s2 d6s2 3d 80509.5 54565.5 0.0 0.0 0.0 0.0 0.0 Y d7 4s5s d7 4s 5s 168669.5 141669.5 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 Z d7 4s6s d7 4s 6s 196401.0 169401.0 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 a d7 4s7s d7 4s 7s 208059.2 181059.2 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 b d7 4s8s d7 4s 8s 214141.0 187141.0 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 c d7 4s9s d7 4s 9s 217723.3 190723.3 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 d d7 4s10s d7 4s 10s 220011.5 193011.5 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 e d7 4s11s d7 4s 11s 221563.1 194563.1 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 f d7 4s12s d7 4s 12s 222661.7 195661.7 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 g d6s2 5s d6s2 5s 283498.8 246498.8 FIXEDHF 37000.0 0.0 0.0 0.0 0.0 h d8 5g d8 5g 140119.8 123275.1 17000.0 0.0 0.0 0.0 0.0 i d8 6g d8 6g 145494.5 128645.3 17000.0 0.0 0.0 0.0 0.0 j d8 7g d8 7g 148741.2 131887.5 17000.0 0.0 0.0 0.0 0.0 k d8 8g d8 8g 150991.8 133991.8 FIXEDHF 17000.0 0.0 0.0 0.0 0.0 l d8 9g d8 9g 152434.9 135434.9 FIXEDHF 17000.0 HF 3.0 0.0 0.0 0.0 m d7 4s5g d7 4s 5g 209574.4 182574.4 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 n d7 4s6g d7 4s 6g 214963.9 187963.9 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 o d7 4s7g d7 4s 7g 218222.6 191222.6 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 p d7 4s8g d7 4s 8g 220337.9 193337.9 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 q d7 4s9g d7 4s 9g 221788.1 194788.1 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 r d8 7i d8 7i 148905.6 131905.6 FIXEDHF 17000.0 6.0 0.0 0.0 0.0 s d8 8i d8 8i 151005.7 134005.7 FIXEDHF 17000.0 6.0 0.0 0.0 0.0 t d8 9i d8 9i 152445.0 135445.0 FIXEDHF 17000.0 0.0 0.0 0.0 0.0 u d7 4s7i d7 4s 7i 218276.9 191276.9 FIXEDHF 27000.0 6.0 0.0 0.0 0.0 v d7 4s8i d7 4s 8i 220376.8 193376.8 FIXEDHF 27000.0 6.0 0.0 0.0 0.0 w d7 4s9i d7 4s 9i 221816.1 194816.1 FIXEDHF 27000.0 HF 10.0 0.0 0.0 0.0 x d8 9l d8 9l 152445.0 135445.0 FIXEDHF 17000.0 HF 10.0 0.0 0.0 0.0 y d7 4s9l d7 4s 9l 221816.1 194816.1 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 z d7p2 d7 4p 4p 176446.0 149446.0 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 z d7p2 d6p2 3d 176446.0 149446.0 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 1 d8 4p d7 4p 3d 65859.7 48800.4 17000.0 0.0 0.0 0.0 0.0 1 d8 4p d8 4p 65859.7 48800.4 17000.0 0.0 0.0 0.0 0.0 2 d8 5p d8 5p 115655.8 99006.3 17000.0 0.0 0.0 0.0 0.0 3 d8 6p d8 6p 133447.0 116604.9 17000.0 0.0 0.0 0.0 0.0 4 d8 7p d8 7p 141955.7 125001.6 17000.0 0.0 0.0 0.0 0.0 5 d8 8p d8 8p 146624.2 129677.2 17000.0 0.0 0.0 0.0 0.0 6 d8 9p d8 9p 148059.6 132550.1 17000.0 0.0 0.0 0.0 0.0 7 d8 10p d8 10p 151442.0 134442.0 FIXEDHF 17000.0 0.0 0.0 0.0 0.0 8 d8 11p d8 11p 152755.5 135755.5 FIXEDHF 17000.0 0.0 0.0 0.0 0.0 9 d8 12p d8 12p 153703.0 136703.0 FIXEDHF 17000.0 0.0 0.0 0.0 0.0 A d8 13p d8 13p 154408.2 137408.2 FIXEDHF 17000.0 0.0 0.0 0.0 0.0 B d8 14p d8 14p 154948.5 137948.5 FIXEDHF 17000.0 HF 0.0 0.0 0.0 0.0 C d8 15p d8 15p 155371.4 138371.4 FIXEDHF 17000.0 0.0 0.0 0.0 0.0 D d7 4s4p d6 4s4p 3d 121324.6 94146.0 27000.0 0.0 0.0 0.0 0.0 D d7 4s4p d7 4s 4p 121324.6 94146.0 27000.0 0.0 0.0 0.0 0.0 D d7 4s4p d7 4p 4s 121324.6 94146.0 27000.0 0.0 0.0 0.0 0.0 E d7 4s5p d7 4s 5p 182527.8 155527.8 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 F d7 4s6p d7 4s 6p 201922.0 174922.0 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 G d7 4s7p d7 4s 7p 210848.5 183848.5 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 H d7 4s8p d7 4s 8p 215747.8 188747.8 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 I d7 4s9p d7 4s 9p 218732.4 191732.4 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 J d7 4s10p d7 4s 10p 220687.0 193687.0 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 K d7 4s11p d7 4s 11p 222038.2 195038.2 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 L d7 4s12p d7 4s 12p 223009.2 196009.2 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 M d7 4s13p d7 4s 13p 223730.6 196730.6 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 N d7 4s14p d7 4s 14p 224282.2 197282.2 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 O d6s2 4p d6s2 4p 224722.0 187722.0 FIXEDHF 37000.0 0.0 0.0 0.0 0.0 P d6s2 5p d6s2 5p 298653.5 261653.5 FIXEDHF 37000.0 0.0 0.0 0.0 0.0 Q d6s2 6p d6s2 6p 319472.4 282472.4 FIXEDHF 37000.0 0.0 0.0 0.0 0.0 R d6s2 7p d6s2 7p 328831.3 291831.3 FIXEDHF 37000.0 0.0 0.0 0.0 0.0 S d6s2 8p d6s2 8p 333913.5 296913.5 FIXEDHF 37000.0 0.0 0.0 0.0 0.0 T d6s2 9p d6s2 9p 336990.3 299990.3 FIXEDHF 37000.0 HF 1.5 0.0 0.0 0.0 U d8 4f d8 4f 130120.8 113048.4 17000.0 0.0 0.0 0.0 0.0 V d8 5f d8 5f 140091.1 123081.9 17000.0 0.0 0.0 0.0 0.0 W d8 6f d8 6f 145504.1 128534.3 17000.0 0.0 0.0 0.0 0.0 X d8 7f d8 7f 148780.6 131818.4 17000.0 0.0 0.0 0.0 0.0 Y d8 8f d8 8f 150946.1 133946.1 FIXEDHF 17000.0 0.0 0.0 0.0 0.0 Z d8 9f d8 9f 152403.1 135403.1 FIXEDHF 17000.0 0.0 0.0 0.0 0.0 a d8 10f d8 10f 153443.1 136443.1 FIXEDHF 17000.0 4.0 0.0 0.0 0.0 b d8 11f d8 11f 154213.0 137213.0 FIXEDHF 17000.0 5.0 0.0 0.0 0.0 c d8 12f d8 12f 154798.7 137798.7 FIXEDHF 17000.0 6.0 0.0 0.0 0.0 d d8 13f d8 13f 155253.6 138253.6 FIXEDHF 17000.0 HF 2.0 0.0 0.0 0.0 e d7 4s4f d7 4s 4f 198867.6 171867.6 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 f d7 4s5f d7 4s 5f 209189.7 182189.7 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 g d7 4s6f d7 4s 6f 214760.2 187760.2 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 h d7 4s7f d7 4s 7f 218101.8 191101.8 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 i d7 4s8f d7 4s 8f 220260.7 193260.7 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 j d7 4s9f d7 4s 9f 221735.7 194735.7 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 k d7 4s10f d7 4s 10f 222787.0 195787.0 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 l d7 4s11f d7 4s 11f 223564.5 196564.5 FIXEDHF 27000.0 0.0 0.0 0.0 0.0 m d7 4s12f d7 4s 12f 224155.0 197155.0 FIXEDHF 27000.0 4.0 0.0 0.0 0.0 n d7 4s13f d7 4s 13f 224613.5 197613.5 FIXEDHF 27000.0 HF 1.0 0.0 0.0 0.0 o d6s2 4f d6s2 4f 317148.4 280148.4 FIXEDHF 37000.0 HF 1.0 0.0 0.0 0.0 p d6s2 5f d6s2 5f 327523.2 290523.2 FIXEDHF 37000.0 HF 1.0 0.0 0.0 0.0 q d6s2 6f d6s2 6f 333128.2 296128.2 FIXEDHF 37000.0 HF 1.0 0.0 0.0 0.0 r d6s2 7f d6s2 7f 336488.0 299488.0 FIXEDHF 37000.0 HF 1.0 0.0 0.0 0.0 s d6s2 8f d6s2 8f 338656.4 301656.4 FIXEDHF 37000.0 HF 1.0 0.0 0.0 0.0 t d6s2 9f d6s2 9f 340137.0 303137.0 FIXEDHF 37000.0 0.0 0.0 0.0 0.0 u d8 6h d8 6h 145531.0 128668.8 17000.0 0.0 0.0 0.0 0.0 v d8 7h d8 7h 148903.8 131903.8 FIXEDHF 17000.0 0.0 0.0 0.0 0.0 w d8 8h d8 8h 151003.7 134003.7 FIXEDHF 17000.0 0.0 0.0 0.0 0.0 x d8 9h d8 9h 152443.6 135443.6 FIXEDHF 17000.0 8.0 0.0 0.0 0.0 y d8 8k d8 8k 151005.6 134005.6 FIXEDHF 17000.0 8.0 0.0 0.0 0.0 z d8 9k d8 9k 152445.0 135445.0 FIXEDHF 17000.0 0