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史冰倩新蟲(chóng) (初入文壇)
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[求助]
Gaussian 報(bào)錯(cuò)2070
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計(jì)算報(bào)錯(cuò)2070 (剛?cè)肽M) 輸入文件:%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 輸出文件:%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 錯(cuò)誤代碼:2070 The processing of the last link ended abnormally .All processing has been aborted. |
銀蟲(chóng) (小有名氣)
新蟲(chóng) (初入文壇)
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[基金申請(qǐng)] 此成果不能導(dǎo)入原因:元數(shù)據(jù)必填信息不完整,可 進(jìn)行補(bǔ)充。 +4 | Kittylucky 2026-03-02 | 5/250 |
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