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#B3LYP/6-31G(d) Opt=modredundant
ts
-1 1
C
H 1 B1
H 1 B2 2 A1
H 1 B3 3 A2 2 D1 0
C 1 B4 3 A3 2 D2 0
H 5 B5 1 A4 3 D3 0
H 5 B6 1 A5 3 D4 0
Br 5 B7 1 A6 3 D5 0
Cl 5 B8 1 A7 3 D6 0
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B2 1.09252176
B3 1.09747103
B4 1.51778801
B5 1.09926506
B6 1.09818187
B7 2.74083047
B8 1.85266160
A1 107.52308778
A2 111.63475139
A3 109.99119710
A4 109.96449229
A5 112.58553067
A6 68.26143876
A7 111.73856124
D1 -118.64262451
D2 117.30493556
D3 -47.50093340
D4 -172.39358849
D5 -106.17630845
D6 73.82369155