c2im.zmat

c2im+

1    NAH 
2    CRH     1        1.315
3    NA      2        1.315     1      109.8 
4    CW      3        1.378     2      108.0      1        0.0
5    CWH     4        1.341     3      107.1      2        0.0
6    HCR     2        1.080     1      125.1      3      180.0
7    C1A     3        1.466     2      126.3      1      180.0
8    HCW     4        1.080     3      126.45     2      180.0
9    HCW     5        1.080     4      126.45     3      180.0
10   CE      7        1.520     3      109.5      2        0.0
11   H1      7        1.090     3      109.5      2      120.0
12   H1      7        1.090     3      109.5      2      240.0
13   HC     10        1.090     7      109.5      3      180.0
14   HC     10        1.090     7      109.5      3      300.0
15   HC     10        1.090     7      109.5      3       60.0
16   HNA     1        1.010     2      125.4      3      180.0

connect 5 1

improper  5  2  1  16
improper  1  3  2  6
improper  2  4  3  7
improper  3  5  4  8
improper  4  1  5  9 

il.ff