$SETPOOL $SET VERIFY=NOIMAGE $ASSIGN POOLQ:GAq2500O.LIN FOR007 $ASSIGN POOLQ:GAq2500O.WNLIN FOR027 $ASSIGN 2500:GAq2500O.GAM FOR008 $ASSIGN SYS$OUTPUT FOR009 $ASSIGN K4B:C2500O.EIG FOR002 $ASSIGN K4E:C2500O.EIG FOR003 $ASSIGN 2500:RRHF2500O.DAT FOR012 $ASSIGN POOL:GAq250015.DAT FOR015 $ASSIGN POOLQ:LSq2500O.DAT FOR041 $RUN CRAY:BIGGFQ3007 25.00 ODD 0. 99999.999 -7.5 59959. 50000. 50000. 1. 99. WAVELO WAVEHI GALO EION EGALO EBOLT STARTJJ STOPJJ 1 1 (d4 4s4p )d5 4s4p (d4 4s4p )d5 4s4p 1.68274 1 13 (d4 4s4p )d5 4s4p (d4 4s4p )d4s2 4p -2.12004 1 7 (d5 4p )d5 4s4p (d5 4p )d6 4p -2.86883 1 1 (d5 4s )d5 4s4p (d5 4s )d5 4s4p 17.08715 1 2 (d5 4s )d5 4s4p (d5 4s )d5 4s5p -16.98096 1 3 (d5 4s )d5 4s4p (d5 4s )d5 4s6p -4.91328 1 4 (d5 4s )d5 4s4p (d5 4s )d5 4s7p -0.39270 1 5 (d5 4s )d5 4s4p (d5 4s )d5 4s8p 2.99532 1 6 (d5 4s )d5 4s4p (d5 4s )d5 4s9p 0.36353 1 15 (d5 4s )d5 4s4p (d5 4s )d5 4s4f 19.54751 1 16 (d5 4s )d5 4s4p (d5 4s )d5 4s5f 7.17444 1 17 (d5 4s )d5 4s4p (d5 4s )d5 4s6f -12.19629 1 18 (d5 4s )d5 4s4p (d5 4s )d5 4s7f -5.28060 1 19 (d5 4s )d5 4s4p (d5 4s )d5 4s8f -6.20051 1 20 (d5 4s )d5 4s4p (d5 4s )d5 4s9f 3.43767 2 1 (d5 4s )d5 4s5p (d5 4s )d5 4s4p -16.98096 2 2 (d5 4s )d5 4s5p (d5 4s )d5 4s5p 126.55413 2 3 (d5 4s )d5 4s5p (d5 4s )d5 4s6p -102.73641 2 4 (d5 4s )d5 4s5p (d5 4s )d5 4s7p -10.84779 2 5 (d5 4s )d5 4s5p (d5 4s )d5 4s8p 22.53998 2 6 (d5 4s )d5 4s5p (d5 4s )d5 4s9p 7.67581 2 15 (d5 4s )d5 4s5p (d5 4s )d5 4s4f -84.77942 2 16 (d5 4s )d5 4s5p (d5 4s )d5 4s5f 98.69572 2 17 (d5 4s )d5 4s5p (d5 4s )d5 4s6f 28.00240 2 18 (d5 4s )d5 4s5p (d5 4s )d5 4s7f -51.70604 2 19 (d5 4s )d5 4s5p (d5 4s )d5 4s8f -25.15561 2 20 (d5 4s )d5 4s5p (d5 4s )d5 4s9f -16.19246 3 1 (d5 4s )d5 4s6p (d5 4s )d5 4s4p -4.91328 3 2 (d5 4s )d5 4s6p (d5 4s )d5 4s5p -102.73641 3 3 (d5 4s )d5 4s6p (d5 4s )d5 4s6p 417.59928 3 4 (d5 4s )d5 4s6p (d5 4s )d5 4s7p -350.40679 3 5 (d5 4s )d5 4s6p (d5 4s )d5 4s8p 115.16540 3 6 (d5 4s )d5 4s6p (d5 4s )d5 4s9p 64.02212 3 15 (d5 4s )d5 4s6p (d5 4s )d5 4s4f 117.29652 3 16 (d5 4s )d5 4s6p (d5 4s )d5 4s5f -445.50391 3 17 (d5 4s )d5 4s6p (d5 4s )d5 4s6f 405.13454 3 18 (d5 4s )d5 4s6p (d5 4s )d5 4s7f -62.89485 3 19 (d5 4s )d5 4s6p (d5 4s )d5 4s8f -6.45338 3 20 (d5 4s )d5 4s6p (d5 4s )d5 4s9f -77.11985 4 1 (d5 4s )d5 4s7p (d5 4s )d5 4s4p -0.39270 4 2 (d5 4s )d5 4s7p (d5 4s )d5 4s5p -10.84779 4 3 (d5 4s )d5 4s7p (d5 4s )d5 4s6p -350.40679 4 4 (d5 4s )d5 4s7p (d5 4s )d5 4s7p 923.05724 4 5 (d5 4s )d5 4s7p (d5 4s )d5 4s8p -919.12958 4 6 (d5 4s )d5 4s7p (d5 4s )d5 4s9p 388.19409 4 15 (d5 4s )d5 4s7p (d5 4s )d5 4s4f -53.53547 4 16 (d5 4s )d5 4s7p (d5 4s )d5 4s5f 546.38996 4 17 (d5 4s )d5 4s7p (d5 4s )d5 4s6f -1154.76947 4 18 (d5 4s )d5 4s7p (d5 4s )d5 4s7f 1013.63602 4 19 (d5 4s )d5 4s7p (d5 4s )d5 4s8f 236.14190 4 20 (d5 4s )d5 4s7p (d5 4s )d5 4s9f -105.59942 5 1 (d5 4s )d5 4s8p (d5 4s )d5 4s4p 2.99532 5 2 (d5 4s )d5 4s8p (d5 4s )d5 4s5p 22.53998 5 3 (d5 4s )d5 4s8p (d5 4s )d5 4s6p 115.16540 5 4 (d5 4s )d5 4s8p (d5 4s )d5 4s7p -919.12958 5 5 (d5 4s )d5 4s8p (d5 4s )d5 4s8p 1439.29388 5 6 (d5 4s )d5 4s8p (d5 4s )d5 4s9p -1289.92887 5 15 (d5 4s )d5 4s8p (d5 4s )d5 4s4f 6.75199 5 16 (d5 4s )d5 4s8p (d5 4s )d5 4s5f -362.95350 5 17 (d5 4s )d5 4s8p (d5 4s )d5 4s6f 1311.88567 5 18 (d5 4s )d5 4s8p (d5 4s )d5 4s7f -1812.84110 5 19 (d5 4s )d5 4s8p (d5 4s )d5 4s8f 138.79514 5 20 (d5 4s )d5 4s8p (d5 4s )d5 4s9f 352.31855 6 1 (d5 4s )d5 4s9p (d5 4s )d5 4s4p 0.36353 6 2 (d5 4s )d5 4s9p (d5 4s )d5 4s5p 7.67581 6 3 (d5 4s )d5 4s9p (d5 4s )d5 4s6p 64.02212 6 4 (d5 4s )d5 4s9p (d5 4s )d5 4s7p 388.19409 6 5 (d5 4s )d5 4s9p (d5 4s )d5 4s8p -1289.92887 6 6 (d5 4s )d5 4s9p (d5 4s )d5 4s9p 2331.89399 6 15 (d5 4s )d5 4s9p (d5 4s )d5 4s4f 9.56358 6 16 (d5 4s )d5 4s9p (d5 4s )d5 4s5f 63.25601 6 17 (d5 4s )d5 4s9p (d5 4s )d5 4s6f -838.10482 6 18 (d5 4s )d5 4s9p (d5 4s )d5 4s7f 2046.78597 6 19 (d5 4s )d5 4s9p (d5 4s )d5 4s8f -1998.57219 6 20 (d5 4s )d5 4s9p (d5 4s )d5 4s9f 368.71808 7 1 (d5 4p )d6 4p (d5 4p )d5 4s4p -2.86883 7 7 (d5 4p )d6 4p (d5 4p )d6 4p 2.15385 7 7 (d6 )d6 4p (d6 )d6 4p 23.88101 7 8 (d6 )d6 4p (d6 )d6 5p -25.45085 7 9 (d6 )d6 4p (d6 )d6 6p -1.60780 7 10 (d6 )d6 4p (d6 )d6 7p 5.95988 7 11 (d6 )d6 4p (d6 )d6 8p 0.61204 7 12 (d6 )d6 4p (d6 )d6 9p -3.40437 7 21 (d6 )d6 4p (d6 )d6 4f 23.54891 7 22 (d6 )d6 4p (d6 )d6 5f -16.31678 7 23 (d6 )d6 4p (d6 )d6 6f -16.37739 7 24 (d6 )d6 4p (d6 )d6 7f 15.25639 7 25 (d6 )d6 4p (d6 )d6 8f -3.90555 7 26 (d6 )d6 4p (d6 )d6 9f 5.12724 8 7 (d6 )d6 5p (d6 )d6 4p -25.45085 8 8 (d6 )d6 5p (d6 )d6 5p 139.34615 8 9 (d6 )d6 5p (d6 )d6 6p -137.07107 8 10 (d6 )d6 5p (d6 )d6 7p 37.07955 8 11 (d6 )d6 5p (d6 )d6 8p 21.47931 8 12 (d6 )d6 5p (d6 )d6 9p -24.23801 8 21 (d6 )d6 5p (d6 )d6 4f -66.04830 8 22 (d6 )d6 5p (d6 )d6 5f 197.51970 8 23 (d6 )d6 5p (d6 )d6 6f -69.75125 8 24 (d6 )d6 5p (d6 )d6 7f -27.66055 8 25 (d6 )d6 5p (d6 )d6 8f 62.74888 8 26 (d6 )d6 5p (d6 )d6 9f -2.64112 9 7 (d6 )d6 6p (d6 )d6 4p -1.60780 9 8 (d6 )d6 6p (d6 )d6 5p -137.07107 9 9 (d6 )d6 6p (d6 )d6 6p 367.41071 9 10 (d6 )d6 6p (d6 )d6 7p -366.33642 9 11 (d6 )d6 6p (d6 )d6 8p 188.72828 9 12 (d6 )d6 6p (d6 )d6 9p -30.46698 9 21 (d6 )d6 6p (d6 )d6 4f 74.43647 9 22 (d6 )d6 6p (d6 )d6 5f -461.22401 9 23 (d6 )d6 6p (d6 )d6 6f 439.90222 9 24 (d6 )d6 6p (d6 )d6 7f -293.31839 9 25 (d6 )d6 6p (d6 )d6 8f 96.04009 9 26 (d6 )d6 6p (d6 )d6 9f -36.16243 10 7 (d6 )d6 7p (d6 )d6 4p 5.95988 10 8 (d6 )d6 7p (d6 )d6 5p 37.07955 10 9 (d6 )d6 7p (d6 )d6 6p -366.33642 10 10 (d6 )d6 7p (d6 )d6 7p 703.07179 10 11 (d6 )d6 7p (d6 )d6 8p -714.65765 10 12 (d6 )d6 7p (d6 )d6 9p 498.48248 10 21 (d6 )d6 7p (d6 )d6 4f -44.16301 10 22 (d6 )d6 7p (d6 )d6 5f 514.69911 10 23 (d6 )d6 7p (d6 )d6 6f -796.61636 10 24 (d6 )d6 7p (d6 )d6 7f 902.85528 10 25 (d6 )d6 7p (d6 )d6 8f -731.96256 10 26 (d6 )d6 7p (d6 )d6 9f -15.11157 11 7 (d6 )d6 8p (d6 )d6 4p 0.61204 11 8 (d6 )d6 8p (d6 )d6 5p 21.47931 11 9 (d6 )d6 8p (d6 )d6 6p 188.72828 11 10 (d6 )d6 8p (d6 )d6 7p -714.65765 11 11 (d6 )d6 8p (d6 )d6 8p 1107.30441 11 12 (d6 )d6 8p (d6 )d6 9p -1143.31491 11 21 (d6 )d6 8p (d6 )d6 4f 12.13956 11 22 (d6 )d6 8p (d6 )d6 5f -362.98401 11 23 (d6 )d6 8p (d6 )d6 6f 851.07070 11 24 (d6 )d6 8p (d6 )d6 7f -1324.67086 11 25 (d6 )d6 8p (d6 )d6 8f 1452.55787 11 26 (d6 )d6 8p (d6 )d6 9f 102.09593 12 7 (d6 )d6 9p (d6 )d6 4p -3.40437 12 8 (d6 )d6 9p (d6 )d6 5p -24.23801 12 9 (d6 )d6 9p (d6 )d6 6p -30.46698 12 10 (d6 )d6 9p (d6 )d6 7p 498.48248 12 11 (d6 )d6 9p (d6 )d6 8p -1143.31491 12 12 (d6 )d6 9p (d6 )d6 9p 1546.51425 12 21 (d6 )d6 9p (d6 )d6 4f 3.41087 12 22 (d6 )d6 9p (d6 )d6 5f 178.21211 12 23 (d6 )d6 9p (d6 )d6 6f -676.06436 12 24 (d6 )d6 9p (d6 )d6 7f 1375.13663 12 25 (d6 )d6 9p (d6 )d6 8f -1850.65477 12 26 (d6 )d6 9p (d6 )d6 9f -66.43403 13 13 (d3s2 4p )d4s2 4p (d3s2 4p )d4s2 4p 1.39444 13 1 (d4 4s4p )d4s2 4p (d4 4s4p )d5 4s4p -2.12004 13 13 (d4s2 )d4s2 4p (d4s2 )d4s2 4p 14.91584 13 14 (d4s2 )d4s2 4p (d4s2 )d4s2 5p 3.00754 13 27 (d4s2 )d4s2 4p (d4s2 )d4s2 4f 10.78083 14 13 (d4s2 )d4s2 5p (d4s2 )d4s2 4p 3.00754 14 14 (d4s2 )d4s2 5p (d4s2 )d4s2 5p 321.88371 14 27 (d4s2 )d4s2 5p (d4s2 )d4s2 4f -403.03217 15 1 (d5 4s )d5 4s4f (d5 4s )d5 4s4p 19.54751 15 2 (d5 4s )d5 4s4f (d5 4s )d5 4s5p -84.77942 15 3 (d5 4s )d5 4s4f (d5 4s )d5 4s6p 117.29652 15 4 (d5 4s )d5 4s4f (d5 4s )d5 4s7p -53.53547 15 5 (d5 4s )d5 4s4f (d5 4s )d5 4s8p 6.75199 15 6 (d5 4s )d5 4s4f (d5 4s )d5 4s9p 9.56358 15 15 (d5 4s )d5 4s4f (d5 4s )d5 4s4f 61.11478 15 16 (d5 4s 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(d5 4s )d5 4s6h -793.78654 16 29 (d5 4s )d5 4s5f (d5 4s )d5 4s7h -315.77108 16 30 (d5 4s )d5 4s5f (d5 4s )d5 4s8h -170.37425 16 31 (d5 4s )d5 4s5f (d5 4s )d5 4s9h -108.51538 17 1 (d5 4s )d5 4s6f (d5 4s )d5 4s4p -12.19629 17 2 (d5 4s )d5 4s6f (d5 4s )d5 4s5p 28.00240 17 3 (d5 4s )d5 4s6f (d5 4s )d5 4s6p 405.13454 17 4 (d5 4s )d5 4s6f (d5 4s )d5 4s7p -1154.76947 17 5 (d5 4s )d5 4s6f (d5 4s )d5 4s8p 1311.88567 17 6 (d5 4s )d5 4s6f (d5 4s )d5 4s9p -838.10482 17 15 (d5 4s )d5 4s6f (d5 4s )d5 4s4f 38.63516 17 16 (d5 4s )d5 4s6f (d5 4s )d5 4s5f -546.80557 17 17 (d5 4s )d5 4s6f (d5 4s )d5 4s6f 1263.75163 17 18 (d5 4s )d5 4s6f (d5 4s )d5 4s7f -1281.56294 17 19 (d5 4s )d5 4s6f (d5 4s )d5 4s8f -63.01007 17 20 (d5 4s )d5 4s6f (d5 4s )d5 4s9f 159.74900 17 28 (d5 4s )d5 4s6f (d5 4s )d5 4s6h 2004.59745 17 29 (d5 4s )d5 4s6f (d5 4s )d5 4s7h -49.41039 17 30 (d5 4s )d5 4s6f (d5 4s )d5 4s8h -162.60276 17 31 (d5 4s )d5 4s6f (d5 4s )d5 4s9h -149.61082 18 1 (d5 4s )d5 4s7f (d5 4s )d5 4s4p -5.28060 18 2 (d5 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38 34 (d6 )d6 8k (d6 )d6 8h 7220.40603 38 35 (d6 )d6 8k (d6 )d6 9h -946.94376 38 38 (d6 )d6 8k (d6 )d6 8k 9547.87498 38 39 (d6 )d6 8k (d6 )d6 9k -4609.15741 39 32 (d6 )d6 9k (d6 )d6 6h 1654.98655 39 33 (d6 )d6 9k (d6 )d6 7h 2704.77425 39 34 (d6 )d6 9k (d6 )d6 8h -16953.39825 39 35 (d6 )d6 9k (d6 )d6 9h 16915.89865 39 38 (d6 )d6 9k (d6 )d6 8k -4609.15741 39 39 (d6 )d6 9k (d6 )d6 9k 18793.75326 0 $SORT/STAT POOLQ:GAq2500O.LIN POOLQ:GAq2500O.LIN $SORT/STAT POOLQ:GAq2500O.WNLIN POOLQ:GAq2500O.WNLIN