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史冰倩

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专业: 化学工程及工业化学

[求助] Gaussian 报错2070

计算报错2070 （刚入模拟）

输入文件：%chk=C:\Users\Lenovo\Desktop\3,5-dihydroxybenzoic acid(G).chk
# opt freq b3lyp/6-31g(d)

3,5-dihydroxybenzoic acid(G)

0 1

C                -0.18733733 -0.17608242 -0.02031669
C                1.21401393 -0.18250781 -0.03008102
C                1.92018272 1.02787191 -0.04519835
C                1.22500027 2.24467701 -0.05055110
C                -0.17635099 2.25110240 -0.04078684
C                -0.88251978 1.04072268 -0.02566975
H                -0.72651287 -1.10023419 -0.00877327
H                2.99014551 1.02296599 -0.05265268
H                -0.70713822 3.18016010 -0.04487391
C                2.00100996 3.57476464 -0.06716031
O                1.37676452 4.66740600 -0.07196234
O                3.43096020 3.56820811 -0.07712630
H                3.75766811 4.35434232 0.36655708
O                1.92338378 -1.42414567 -0.02461878
H                1.39838059 -2.09458483 -0.46788278
O                -2.31247004 1.04727920 -0.01570646
H                -2.62611809 1.05635055 0.89156561
输出文件：%chk=C:\Users\Lenovo\Desktop\3,5-dihydroxybenzoic acid(G).chk
Error converting string"ybenzoic acid(G).chk" to an integer.
Input conversion error in IntKMC.
Error termination via Lnk1e in C:\G09W\l1.exe at Wed Dec 22 13:59:01 2021.
Job cpu time:  0 days  0 hours  0 minutes  0.0 seconds.
File lengths (MBytes):  RWF=    0 Int=    0 D2E=    0 Chk=    0 Scr=    0
错误代码：2070
The processing of the last  link ended  abnormally .All processing has been aborted.

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