Hi all,

I am trying to use this software to build Poly(dimethyloxilate), however I want the termination to be CH3 instead of H. Henceforth I am trying to write my z matrices like below :

4   # Number of backbone atoms
C_ 
O_    1  1.09
N_    2  1.09  1  112
C_    3  1.09  2  112  1  120.0
C_    3  1.79  2  107  1  57.3
H_    5  1.10  3  112  2  -58.3
H_    5  1.10  3  112  2  61.8 
H_    5  1.10  3  112  2  -178.0
C_    3  1.79  2  107  1  -57.3
H_    9  1.10  3  112  2  -58.3
H_    9  1.10  3  112  2  61.8 
H_    9  1.10  3  112  2  -178.0
H_    1  1.10  2  112  3  -58.3
H_    1  1.10  2  112  3  61.8 
H_    1  1.10  2  112  3  -178.0
H_    4  1.10  3  112  2  -58.3
H_    4  1.10  3  112  2  61.8 
H_    4  1.10  3  112  2  -178.0

yet I am getting error. Hence firstly, am I doing this correctly? If not, how can I do it? Also, I see the previous post regarding Si as part of the backbone, however I the online software did not allow Si. (basically replace N with Si). Am I doing something wrong?

Best,

Ben