148 lines
5.0 KiB
Plaintext
148 lines
5.0 KiB
Plaintext
#p ROCCSD(T) GEN pop=full gfprint
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G2
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0,2
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Na
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Na 0
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S 15 1.00
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1224000.0000000 0.00000500
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183200.0000000 0.00003700
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41700.0000000 0.00019600
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11810.0000000 0.00082700
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3853.0000000 0.00300300
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1391.0000000 0.00970300
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542.5000000 0.02823400
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224.9000000 0.07320600
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97.9300000 0.16289700
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44.3100000 0.28870800
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20.6500000 0.34682900
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9.7290000 0.20686500
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4.2280000 0.03280100
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1.9690000 -0.00064800
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0.8890000 0.00145900
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S 15 1.00
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1224000.0000000 -0.00000100
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183200.0000000 -0.00000900
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41700.0000000 -0.00004800
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11810.0000000 -0.00020200
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3853.0000000 -0.00073600
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1391.0000000 -0.00238700
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542.5000000 -0.00705000
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224.9000000 -0.01878600
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97.9300000 -0.04461500
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44.3100000 -0.08977400
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20.6500000 -0.14294000
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9.7290000 -0.12431500
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4.2280000 0.09996500
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1.9690000 0.41708000
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0.8890000 0.47512300
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S 14 1.00
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183200.0000000 0.00000100
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41700.0000000 0.00000700
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11810.0000000 0.00003000
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3853.0000000 0.00011100
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1391.0000000 0.00035900
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542.5000000 0.00106300
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224.9000000 0.00282700
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97.9300000 0.00676700
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44.3100000 0.01364800
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20.6500000 0.02228100
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9.7290000 0.01960100
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4.2280000 -0.01677100
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1.9690000 -0.07737300
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0.8890000 -0.11350100
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S 1 1.00
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0.3964000 1.0000000
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S 1 1.00
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0.0699300 1.0000000
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S 1 1.00
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0.0328900 1.0000000
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S 1 1.00
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0.0161200 1.0000000
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S 1 1.00
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157.4890000 1.0000000
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S 1 1.00
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27.9270000 1.0000000
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S 1 1.00
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4.9520000 1.0000000
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S 1 1.00
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0.8780000 1.0000000
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P 8 1.00
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413.4000000 0.00090800
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97.9800000 0.00741800
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31.3700000 0.03574600
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11.6200000 0.11852000
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4.6710000 0.26140300
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1.9180000 0.37839500
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0.7775000 0.33463200
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0.3013000 0.12684400
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P 8 1.00
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413.4000000 -0.00009000
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97.9800000 -0.00073900
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31.3700000 -0.00357300
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11.6200000 -0.01201400
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4.6710000 -0.02671800
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1.9180000 -0.03927500
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0.7775000 -0.03760800
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0.3013000 -0.04332300
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P 1 1.00
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0.2275000 1.0000000
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P 1 1.00
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0.0752700 1.0000000
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P 1 1.00
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0.0312600 1.0000000
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P 1 1.00
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0.0134200 1.0000000
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P 1 1.00
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9.8690000 1.0000000
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P 1 1.00
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4.4140000 1.0000000
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P 1 1.00
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1.9740000 1.0000000
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P 1 1.00
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0.8830000 1.0000000
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D 1 1.00
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0.2734000 1.0000000
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D 1 1.00
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0.1538000 1.0000000
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D 1 1.00
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0.0865000 1.0000000
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D 1 1.00
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0.0487000 1.0000000
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D 1 1.00
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14.4010000 1.0000000
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D 1 1.00
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6.1840000 1.0000000
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D 1 1.00
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2.6560000 1.0000000
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D 1 1.00
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1.1400000 1.0000000
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F 1 1.00
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0.4000000 1.0000000
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F 1 1.00
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0.1912000 1.0000000
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F 1 1.00
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0.1036000 1.0000000
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F 1 1.00
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10.5240000 1.0000000
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F 1 1.00
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4.4050000 1.0000000
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F 1 1.00
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1.8440000 1.0000000
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G 1 1.00
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0.4250000 1.0000000
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G 1 1.00
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0.1722000 1.0000000
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G 1 1.00
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7.3260000 1.0000000
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G 1 1.00
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2.7270000 1.0000000
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H 1 1.00
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0.2000000 1.0000000
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H 1 1.00
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5.1330000 1.0000000
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****
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