5 Cyanoformaldehyde,^1A^\prime,CC3,aug-cc-pVTZ C -0.48452250 0.00000000 -0.64836291 C -0.00577977 0.00000000 0.73832485 N 0.33957439 0.00000000 1.84587767 O 0.26900027 0.00000000 -1.58931955 H -1.57272638 0.00000000 -0.75442506