Approximate re bond lengths are given in parentheses
Cl
C,1,B1
C,2,B2,1,A1
C,3,B3,2,A2,1,D1,0
C,4,B4,3,A3,2,D2,0
H,2,B5,1,A4,3,D3,0
H,3,B6,2,A5,1,D4,0
H,4,B7,3,A6,2,D5,0
H,5,B8,4,A7,3,D6,0
H,5,B9,4,A8,3,D7,0
Variables:
B1=1.72812259 (1.7249)
B2=1.34089447 (1.3370)
B3=1.44745045 (1.4487)
B4=1.34254066 (1.3386)
B5=1.07904517
B6=1.08477692
B7=1.08280268
B8=1.08029731
B9=1.08262891
A1=123.56306731
A2=126.07507502
A3=122.69990701
A4=113.44313711
A5=116.01869598
A6=117.49347399
A7=121.20434609
A8=121.06228174
D1=0.
D2=180.
D3=180.
D4=180.
D5=0.
D6=180.
D7=0.
Approximate re bond lengths are given in parentheses
Cl
C,1,B1
C,2,B2,1,A1
C,3,B3,2,A2,1,D1,0
C,4,B4,3,A3,2,D2,0
H,2,B5,1,A4,3,D3,0
H,3,B6,2,A5,1,D4,0
H,4,B7,3,A6,2,D5,0
H,5,B8,4,A7,3,D6,0
H,5,B9,4,A8,3,D7,0
Variables:
B1=1.72396616 (1.7208)
B2=1.33936167 (1.3355)
B3=1.44946416 (1.4506)
B4=1.34191343 (1.3380)
B5=1.08086002
B6=1.08399294
B7=1.08491525
B8=1.0801665
B9=1.08224304
A1=122.8381167
A2=121.9758805
A3=123.32149813
A4=113.94690503
A5=119.45844781
A6=117.22118589
A7=121.20400908
A8=120.95668206
D1=180.
D2=180.
D3=180.
D4=0.
D5=0.
D6=180.
D7=0.
