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理想lx銅蟲 (小有名氣)
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[求助]
這是什么問題?第一次摸索gaussian 已有1人參與
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Unable to open input file "P.gjf". Error: segmentation violation rax 0000000000000000, rbx 00007ffc70f0d838, rcx ffffffffffffffff rdx 0000000000000d34, rsp 00007ffc70f099e8, rbp 00007ffc70f0d730 rsi 000000000000000b, rdi 0000000000000d34, r8 00002aff3b8107e0 r9 0000000000000000, r10 00007ffc70f09770, r11 0000000000000206 r12 ffffffffffffffff, r13 00007ffc70f0d830, r14 0000000000000000 r15 0000000000000000 0 0x396d632b87 1 0x403548 源文件 %chk=P.chk #P opt/HF/6-31G* P 0 1 C 0.06200000 0.64900000 -0.36800000 C -1.28600000 -0.06800000 -0.45900000 C -1.37900000 -1.15700000 0.61800000 C -0.19400000 -2.13000000 0.52200000 C 1.14500000 -1.38500000 0.63400000 C 1.26100000 -0.29700000 -0.44300000 C 0.15400000 1.75600000 0.76800000 N 0.17000000 1.78600000 -1.29400000 C 0.25300000 2.77000000 -0.37100000 O 0.36100000 3.95300000 -0.52800000 H -2.12800000 0.65500000 -0.35600000 H -1.37600000 -0.53500000 -1.46900000 H -2.34000000 -1.71600000 0.51000000 H -1.38700000 -0.68200000 1.62700000 H -0.26800000 -2.89700000 1.33000000 H -0.23700000 -2.67300000 -0.45200000 H 1.99200000 -2.10600000 0.53800000 H 1.22400000 -0.91700000 1.64400000 H 2.21800000 0.26400000 -0.32800000 H 1.27900000 -0.77400000 -1.45200000 H -0.77500000 1.89200000 1.36300000 H 1.08500000 1.72400000 1.37500000 H 0.18200000 1.84000000 -2.30500000 |
銀蟲 (初入文壇)
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