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[root@Mizar ~]# uptime 10:11:20 up 117 days, 22:45, 1 user, load average: 2838.19, 2837.98, 2837.59 [code] %chk=rotate-80.chk %nproc=7 Will use up to 7 processors via shared memory. %mem=15gb Default route: Punch=Archive MAXDISK=200GB OPT=NoEigenTest SCF=Tight MP2=SemiDi rect geom=(nodistance, nodihedral, noangle) sym=loose cachesize=131072 ---------------------------------------------------------------------- #p cam-b3lyp lanl2dz td(nstates=30,conver=3) geom=connectivity symm=lo ose ---------------------------------------------------------------------- Stoichiometry C72H48N32O24Y(2) Framework group D2[O(Y),X(C72H48N32O24)] Deg. of freedom 132 Full point group D2 NOp 4 Largest Abelian subgroup D2 NOp 4 Largest concise Abelian subgroup D2 NOp 4 1270 basis functions, 3441 primitive gaussians, 1272 cartesian basis functions 454 alpha electrons 453 beta electrons ÕâGaussian09 A01µÄL914µÄµ÷¶È¼òÖ±¾ÍÊÇÔü°¡£¬¾ÍËãÕâô¸öСÈÎÎñ£¬¾Í°Ñƽ¾ù¸ºÔظ㵽2000¶à£¬ÏµÍ³»ù±¾ÎÞ·¨¹¤×÷Á˰¡£¬ÄÌÄ̸öÐÜ ![]() ¿´À´ÔçÈÕ»»³ÉGaussian09DÊÇºÃµÄ [ Last edited by yjcmwgk on 2013-11-6 at 13:45 ] |
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5Â¥2013-11-06 10:10:28
abdoman
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- Ìû×Ó: 1321
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- ×¢²á: 2006-12-01
- ÐÔ±ð: GG
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6Â¥2013-11-06 10:17:10
abdoman
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- Ó¦Öú: 56 (³õÖÐÉú)
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- ɳ·¢: 1
- Ìû×Ó: 1321
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- ³æºÅ: 301521
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- Ìû×Ó: 1321
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- É¢½ð: 39880
- ºì»¨: 395
- ɳ·¢: 2
- Ìû×Ó: 10406
- ÔÚÏß: 1528.1Сʱ
- ³æºÅ: 448368
- ×¢²á: 2007-11-01
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