|
6
|
|
Propynal,^1A^\prime,CC3,aug-cc-pVTZ
|
|
C -0.41302871 0.00000000 -0.73502918
|
|
C -0.09458282 0.00000000 0.67642536
|
|
C 0.12575216 0.00000000 1.86611591
|
|
O 0.42410376 0.00000000 -1.61202369
|
|
H -1.48546959 0.00000000 -0.96717057
|
|
H 0.33881211 0.00000000 2.90440602 |