|
6
|
|
Diacetylene,^1\Sigma_g,CC3,aug-cc-pVTZ
|
|
C 0.00000000 0.00000000 0.68500773
|
|
C 0.00000000 0.00000000 -0.68500773
|
|
C 0.00000000 0.00000000 1.89682740
|
|
C 0.00000000 0.00000000 -1.89682740
|
|
H 0.00000000 0.00000000 2.95779899
|
|
H 0.00000000 0.00000000 -2.95779899 |