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4Â¥2008-12-17 10:34:00
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2Â¥2008-12-17 08:56:09
yuhuobuku
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%chk=BA6.chk %mem=8000mb %nproc=8 #p ccsd(t)/genecp opt iop(5/13=1,2/16=2) freq scf=qc lanl2dz for A, 6-311+g(d) for B 1 1 B A 1 r A 1 r 2 90. A 1 r 3 90. 2 180. A 1 r 4 90. 3 180. A 1 r 5 90. 4 90. A 1 r 5 90. 4 -90. r=3.83836 B 0 6-311+g(d) **** A 0 lanl2dz **** A 0 lanl2dz AΪ½ðÊôÔ×Ó£¬BΪ·Ç½ðÊôÔ×Ó¡£ |

3Â¥2008-12-17 09:02:32
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5Â¥2008-12-17 10:41:02













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