|
SHIFT=2 PM7 Dicyanoacetylene H=126.5 HR=C&P1970 N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 C 1.15901814 +1 0.0000000 +0 0.0000000 +0 1 0 0 C 1.37260149 +1 180.0000000 +0 0.0000000 +0 2 1 0 C 1.21594251 +1 180.0000000 +0 0.0000000 +0 3 2 1 C 1.37260149 +1 180.0000000 +0 0.0000000 +0 4 3 2 N 1.15901813 +1 179.9900000 +0 0.0000000 +0 5 4 3