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wf900828新蟲(chóng) (初入文壇)
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[求助]
構(gòu)型優(yōu)化時(shí)出錯(cuò)Error termination request processed by link 9999. 已有6人參與
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輸入文件: # opt=z-matrix b3lyp/6-311+g(d) Title Card Required 0 1 H O 1 B1 C 2 B2 1 A1 C 3 B3 2 A2 1 D1 0 C 3 B4 2 A3 1 D2 0 H 4 B5 3 A4 2 D3 0 H 4 B6 3 A5 2 D4 0 H 4 B7 3 A6 2 D5 0 H 5 B8 3 A7 2 D6 0 H 5 B9 3 A8 2 D7 0 Br 5 1.98 3 A9 2 D8 0 Br 2 B11 1 A10 3 D9 0 B1 1.94169021 B2 1.21498712 B3 1.50753858 B4 1.51882021 B5 1.09705848 B6 1.08896629 B7 1.09014432 B8 1.08933284 B9 1.08561153 B11 3.38101013 A1 130.89266459 A2 121.84227621 A3 119.74998000 A4 108.15868516 A5 109.92867455 A6 112.52024619 A7 112.28889160 A8 111.05710824 A9 109.76749456 A10 4.58790207 D1 -142.29314135 D2 35.32274523 D3 98.40408473 D4 -19.46056043 D5 -143.07105094 D6 -128.68836660 D7 -3.79507659 D8 114.03403457 D9 -36.77912923 輸出文件出現(xiàn): "WOULD YOU TELL ME PLEASE, WHICH WAY I OUGHT TO WALK FROM HERE?" "THAT DEPENDS A GREAT DEAL ON WHERE YOU WANT TO GO," SAID THE CAT. "I DON'T MUCH CARE WHERE -- ", SAID ALICE. "THEN IT DOESN'T MATTER WHICH WAY YOU WALK," SAID THE CAT. -- LEWIS CARROLL Error termination request processed by link 9999. Error termination via Lnk1e in C:\G03W\l9999.exe at Wed Feb 26 19:40:16 2014. Job cpu time: 0 days 4 hours 4 minutes 29.0 seconds. File lengths (MBytes): RWF= 33 Int= 0 D2E= 0 Chk= 9 Scr= 1 |

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