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QPERR --- A SYNTAX ERROR WAS DETECTED IN THE INPUT LINE. ----------------- 1/14=-1,18=120,26=3,38 ' Last state="GCL" TCursr= 1020 LCursr= 68 ²»ÖªµÀÔõô½øÐÐÐ޸ģ¬Çë½Ì´óÏÀÃÇ¡£ |
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zhangnina626
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9Â¥2009-12-26 20:56:27
sheskybird
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2Â¥2009-12-25 10:41:51
zhangnina626
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- ÐÔ±ð: MM
- רҵ: Åäλ»¯Ñ§
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%chk=CuF4.chk %mem=6MW Default route: MaxDisk=2000MB ---------------------------------------------------------------------- #p b3lyp/genecp opt=modredundant -------------------------------- 1/14 =-1,18=120,26=3,38=1/1,3; 2/9=110,17=6,18=5,40=1/2; 3/5=7,11=2,16=1,17 =8,25=1,30=1,74=-5/1,2,3; 4//1; 5/5=2,38=5/2; 6/7=2,8=2,9=2,10=2,28=1/ 1; 7//1,2,3,16; 1/14=-1,18=20/3(1); 99//99; 2/9=110/2; 3/5=7,6=1,11=2, 16=1,17=8,25=1,30=1,74=-5,82=7/1,2,3; 4/5=5,16=3/1; 5/5=2,38=5/2; 7//1 ,2,3,16; 1/14=-1,18=20/3(-5); 2/9=110/2; 6/7=2,8=2,9=2,10=2,19=2,28=1/ 1; 99/9=1/99; Leave Link 1 at Thu Dec 17 09:06:32 2009, MaxMem= 629145 6 cpu: 1.0 (Enter f:\G03W\l101.exe) -- Cu -- Symbolic Z-matrix: Charge |

3Â¥2009-12-25 10:50:02
zhangmt
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