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	hartrees
Energy at 0K	-131.076584
Energy at 298.15K	-131.075974
HF Energy	-130.690802
Nuclear repulsion energy	46.455309

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3325	3325
2	A'	1831	1831
3	A'	1134	1134
4	A'	661	661
5	A'	380	380
6	A"	413	413

Atom	x (Å)	y (Å)
C1	0.079	-1.257
C2	0.000	0.095
N3	-0.182	1.291
H4	0.805	-2.069

	C1	C2	N3	H4
C1		1.3543	2.5618	1.0891
C2	1.3543		1.2102	2.3087
N3	2.5618	1.2102		3.5022
H4	1.0891	2.3087	3.5022

All results from a given calculation for HCCN (cyanomethylene)

using model chemistry: QCISD(TQ)/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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