re bond lengths are given in parentheses.
C
O,1,B1
C,1,B2,2,A1
C,1,B3,2,A2,3,D1,0
Cl,4,B4,1,A3,3,D2,0
H,3,B5,1,A4,2,D3,0
H,3,B6,1,A5,2,D4,0
H,3,B7,1,A6,2,D5,0
H,4,B8,1,A7,2,D6,0
H,4,B9,1,A8,2,D7,0
Variables:
B1=1.21444461 (1.2111)
B2=1.50151043 (1.5004)
B3=1.52173579 (1.5196)
B4=1.77339385 (1.7779)
B5=1.08916605
B6=1.08493911
B7=1.08916185
B8=1.08456547
B9=1.08932779
A1=123.20157267
A2=118.42732376
A3=113.5953898
A4=109.37866304
A5=109.25927285
A6=110.62893561
A7=109.04081584
A8=108.35096985
D1=-177.46802222
D2=36.13023047
D3=108.62457368
D4=-11.59543766
D5=-133.94740141
D6=-24.68086193
D7=94.52733925
re bond lengths are given in parentheses.
C
O,1,B1
C,1,B2,2,A1
C,1,B3,2,A2,3,D1,0
Cl,4,B4,1,A3,3,D2,0
H,3,B5,1,A4,2,D3,0
H,3,B6,1,A5,2,D4,0
H,3,B7,1,A6,2,D5,0
H,4,B8,1,A7,2,D6,0
H,4,B9,1,A8,2,D7,0
Variables:
B1=1.2181417 (1.2117)
B2=1.50068471 (1.4995)
B3=1.52107035 (1.5190)
B4=1.78202544 (1.7788)
B5=1.08994702
B6=1.08559239
B7=1.08987744
B8=1.08499823
B9=1.0896626
A1=123.17678648
A2=118.15804002
A3=113.55415783
A4=109.38319421
A5=109.19090472
A6=110.59248535
A7=109.13454166
A8=108.56438915
D1=-177.49540308
D2=34.16126446
D3=109.47644391
D4=-10.84947044
D5=-133.16305797
D6=-26.86777007
D7=92.63614191