gCH2ClOCH2CH3 GT rs Hayashi & Kato 1980
0 1
Cl
C 1 B1
H 2 B2 1 A1
H 2 B3 1 A2 3 D1 0
O 2 B4 1 A3 3 D2 0
C 5 B5 2 A4 1 D3 0
H 6 B6 5 A5 2 D4 0
H 6 B7 5 A6 2 D5 0
C 6 B8 5 A7 2 D6 0
H 9 B9 6 A8 5 D7 0
H 9 B10 6 A9 5 D8 0
H 9 B11 6 A10 5 D9 0
B1 1.829
B2 1.100
B3 1.092
B4 1.347
B5 1.431
B6 1.225
B7 1.138
B8 1.514
B9 1.077
B10 1.092
B11 1.085
A1 102.8
A2 104.4
A3 113.1
A4 114.4
A5 104.0
A6 104.8
A7 108.1
A8 110.1
A9 110.1
A10 110.5
D1 116.18831099
D2 -124.12544493
D3 71.8
D4 -57.15446623
D5 59.32660253
D6 175.7
D7 -62.01520261
D8 60.31036840
D9 179.02202472
1 2 3 4 5 6 7 8 9 10 11 12 0
TZV
****
Cl
D 1 1.00
3.00000000 1.00000000
D 1 1.00
0.750000000 1.00000000
D 1 1.00
0.187500000 1.00000000
F 1 1.00
0.700000000 1.00000000
****
O
D 1 1.00
5.16000000 1.00000000
D 1 1.00
1.29200000 1.00000000
D 1 1.00
0.322500000 1.00000000
F 1 1.00
1.40000000 1.00000000
****
H
P 1 1.00
1.500000000 1.00000000
P 1 1.00
0.375000000 1.00000000
****
C
D 1 1.00
2.50400000 1.00000000
D 1 1.00
0.626000000 1.00000000
D 1 1.00
0.156500000 1.00000000
F 1 1.00
0.800000000 1.00000000
****
