Determine point group from internal coordinates



Starting Structure: Butadiene (s-cis)

Bond lengths are given in units of Angles are given in units of


Reference Number
I
Atom Type Bond Length
NA I
Bond Angle
NB NA I
Twist Angle
NC NB NA I
NA NB NC
1 - - - - - -
2 - - 1 - -
3 - -
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125




Determine point group from cartesian coordinates Back to Character tables for chemically important point groups

Last update November, 10th 2023 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement