5 Cyanoacetylene,^1\Sigma^+,CC3,aug-cc-pVTZ C 0.00000000 0.00000000 -1.90038216 C 0.00000000 0.00000000 -0.69160236 C 0.00000000 0.00000000 0.68200486 N 0.00000000 0.00000000 1.84519972 H 0.00000000 0.00000000 -2.96138090 5 Cyanoacetylene,^1A^\prime,aug-cc-pVTZ C 1.05523849 0.00000000 1.49112124 C -0.03865253 0.00000000 0.70447126 C -0.33671613 0.00000000 -0.60620783 N -0.73955561 0.00000000 -1.72593604 H 1.00940477 0.00000000 2.57857037