testTS1freq.mol

18-TS1-freq-b3lyp-631gd-1

Created by GaussView 6.0.16
 16 15  0  0  0  0  0  0  0  0  0    0
    1.3032    0.7235    0.6823 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229    1.0139   -0.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5848    0.1863   -1.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0799   -0.5654   -0.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138   -0.1912    1.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4366   -1.7391    0.0029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1062   -0.6685    0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3063   -0.0502   -0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6295    1.6594    0.0949 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7271   -1.0714   -0.1264 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7324    1.3475    1.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9570    1.7316   -1.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8916    0.1443   -2.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8535   -1.3207   -0.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1053    0.3801    1.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0777   -1.0570    1.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  4  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END