Appendix 2

The xyz file for the Symmetric stretch of CO₂

3 
 0 
C  0.0000000   0.0000000   0.0000000
O  0.0000000   0.0000000   1.5140760
O  0.0000000   0.0000000  -1.5140760
3
 1 
C  0.0000000   0.0000000   0.0000000
O  0.0000000   0.0000000   1.4665151
O  0.0000000   0.0000000  -1.4665151
3
 2 
C  0.0000000   0.0000000   0.0000000
O  0.0000000   0.0000000   1.3365763
O  0.0000000   0.0000000  -1.3365763
3
 3 
C  0.0000000   0.0000000   0.0000000
O  0.0000000   0.0000000   1.1590765
O  0.0000000   0.0000000  -1.1590765
3
 4 
C  0.0000000   0.0000000   0.0000000
O  0.0000000   0.0000000   0.9815765
O  0.0000000   0.0000000  -0.9815765
3
 5 
C  0.0000000   0.0000000   0.0000000
O  0.0000000   0.0000000   0.8516374
O  0.0000000   0.0000000  -0.8516374
3
 6 
C  0.0000000   0.0000000   0.0000000
O  0.0000000   0.0000000   0.8040760
O  0.0000000   0.0000000  -0.8040760
3
 7 
C  0.0000000   0.0000000   0.0000000
O  0.0000000   0.0000000   0.8516364
O  0.0000000   0.0000000  -0.8516364
3
 8 
C  0.0000000   0.0000000   0.0000000
O  0.0000000   0.0000000   0.9815749
O  0.0000000   0.0000000  -0.9815749
3
 9 
C  0.0000000   0.0000000   0.0000000
O  0.0000000   0.0000000   1.1590746
O  0.0000000   0.0000000  -1.1590746
3
 10 
C  0.0000000   0.0000000   0.0000000
O  0.0000000   0.0000000   1.3365746
O  0.0000000   0.0000000  -1.3365746
3
 11 
C  0.0000000   0.0000000   0.0000000
O  0.0000000   0.0000000   1.4665142
O  0.0000000   0.0000000  -1.4665142