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½ð³æ (СÓÐÃûÆø)
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%chk=cis-cis-uff %mem=8GB %nprocshared=8 #p uff admp=(stepsize=2000,maxpoints=2000) opt 0 1 C-C_R -3.29066264 -0.09035370 -0.00118279 H-H_ -2.75749889 -1.01805862 -0.00118279 H-H_ -4.36066264 -0.09035370 -0.00118279 C-C_R -2.61538833 1.08462360 -0.00118279 H-H_ -3.14855207 2.01232852 -0.00118279 C-C_R -1.07538833 1.08462360 -0.00118279 H-H_ -0.54222458 1.70730215 0.68650016 C-C_R -0.39314493 0.29868186 -0.86917275 H-H_ 0.62253821 0.03291952 -0.66263427 C-C_R -1.07467532 -0.21324751 -2.15176569 H-H_ -0.98893531 -1.24391825 -2.42611303 C-C_R -1.78264268 0.63716208 -2.93416763 H-H_ -2.78904276 0.40247595 -3.21162268 C-C_R -1.13646954 1.94580073 -3.42561971 H-H_ -1.75482230 2.76076281 -3.73927030 C-C_R 0.21264455 2.06876172 -3.46220936 H-H_ 0.68349045 2.95206144 -3.08407480 C-C_R 1.07100880 0.93330175 -4.05003711 H-H_ 1.97863923 0.64405219 -3.56275722 C-C_R 0.68076278 0.29918632 -5.18236776 H-H_ -0.22586389 0.58401219 -5.67410175 H-H_ 1.28133147 -0.48901153 -5.58605253 ÊäÈëÎļþ¸ÄΪÈçÉÏ£¬´íÎó»¹ÊÇÒ»ÑùµÄ¡£¡£¡£ |
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