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There are 164 occupied orbitals but only 120 basis functions! Error termination via Lnk1e in /scratch/g09/l301. |
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dreamyeye
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- Ó¦Öú: 39 (СѧÉú)
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- Ìû×Ó: 1049
- ÔÚÏß: 357.9Сʱ
- ³æºÅ: 577095
- ×¢²á: 2008-06-22
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ
2Â¥2012-11-23 09:03:06
liuwenfang
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
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%chk=A34-298.chk %mem=100MW # freq td=(nstates=10) b3lyp/genecp Title Card Required 0 1 I 0.94326000 2.62161000 -0.10402200 I 2.18988800 -1.73329500 -0.20832700 I -1.81763500 -0.44253300 -2.02745500 I -1.34811700 -0.42682300 2.34013800 Cu -1.28137700 1.03340100 0.10282100 Cu -0.49307700 -1.55621100 0.05926800 Cu 1.05275700 0.26319900 1.22238100 Cu 0.78128300 0.22496100 -1.38508100 Cu I 0 LANL2DZ **** |
3Â¥2012-11-23 10:08:24
dreamyeye
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- Ó¦Öú: 39 (СѧÉú)
- ½ð±Ò: 2029.6
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- ×¢²á: 2008-06-22
- ÐÔ±ð: GG
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4Â¥2012-11-23 11:04:16
liuwenfang
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 1858.4
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- ÔÚÏß: 51.5Сʱ
- ³æºÅ: 1173057
- ×¢²á: 2010-12-19
- רҵ: ÎÞ»ú²ÄÁÏ»¯Ñ§
5Â¥2012-11-23 15:30:27














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