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%Chk=c7h6s3o4-es.chk # RCIS=(NStates=2)/6-311+G(d,P) Test opt freq Untitled-1 0 1 S 0 -1.88952 0.35514 -0.73689 C 0 -2.00455 1.9812 -0.26799 S 0 -0.56608 2.82948 -0.56535 C 0 0.32778 1.57527 -1.20801 C 0 -0.3186 0.37439 -1.29967 S 0 -3.25639 2.6076 0.34787 C 0 1.69673 1.82031 -1.69978 O 0 1.98561 2.27718 -2.80528 O 0 2.7821 1.55758 -0.91533 C 0 0.30886 -0.8712 -1.78004 O 0 0.82354 -1.73056 -1.06527 O 0 0.34585 -1.17189 -3.11062 C 0 2.56206 0.91973 0.34228 C 0 -0.12157 -0.18883 -4.03377 H 0 3.5965 0.79048 0.75098 H 0 2.06555 -0.07158 0.19376 H 0 1.95145 1.57673 1.00713 H 0 0.06075 -0.66401 -5.03119 H 0 0.46839 0.75572 -3.92853 H 0 -1.21067 0.00054 -3.877 [ Last edited by zzgyb on 2008-9-2 at 11:47 ] |
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liubohai2007
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3Â¥2008-08-30 15:30:06
wxjbuilder
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liubohai2007
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liubohai2007
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