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ÏëÖªµÀµ½µ×ÄÄ´íÁË logÎļþ£º # ub3lyp/6-311++g(2d,p) scf=tight geom=connectivity --------------------------------------------------- 1/38=1,57=2/1; 2/17=6,18=5,40=1/2; 3/5=4,6=6,7=1112,11=2,16=1,25=1,30=1,74=-5/1,2,3; 4/7=2/1; 5/5=2,32=2,38=5/2; 6/7=2,8=2,9=2,10=2,28=1/1; 99/5=1,9=1/99; ------------------- Title Card Required ------------------- Symbolic Z-matrix: Charge = -1 Multiplicity = 2 C -1.17423 -0.88267 1.11083 H -0.92111 -1.93861 1.0561 H -2.06563 -0.58043 0.56873 C -0.11059 0.10937 1.36159 O -1.02093 -0.2864 2.4047 C -0.29542 1.51466 0.85914 C 0.46729 1.99797 -0.20769 C -1.24065 2.35769 1.44477 C 0.28299 3.2917 -0.682 H 1.20684 1.36249 -0.67983 C -1.42074 3.65407 0.97303 H -1.82776 1.98753 2.27513 C -0.66162 4.12569 -0.09228 H 0.87947 3.64865 -1.51344 H -2.15561 4.29767 1.44252 H -0.80278 5.13527 -0.45946 C 1.30915 -0.3686 1.57031 H 1.86945 -0.37785 0.63339 H 1.83164 0.28843 2.2692 H 1.30587 -1.37902 1.9798 End of file reading connectivity. Error termination via Lnk1e in /export/local/g03/g03/l101.exe at Sun Aug 29 23:07:52 2010. Job cpu time: 0 days 0 hours 0 minutes 3.9 seconds. File lengths (MBytes): RWF= 7 Int= 0 D2E= 0 Chk= 1 Scr= 1 |
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qwerasdf2783
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