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	hartrees
Energy at 0K	-93.284757
Energy at 298.15K	-93.284851
HF Energy	-92.912679
Nuclear repulsion energy	23.738356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	3466	3292	77.32	34.81	0.18	0.31
2	Σ	2033	1931	0.18	46.61	0.07	0.12
3	Π	721	685	35.64	0.14	0.75	0.86
3	Π	721	685	35.64	0.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.506
H2	0.000	0.000	-1.571
N3	0.000	0.000	0.658

	C1	H2	N3
C1		1.0645	1.1640
H2	1.0645		2.2286
N3	1.1640	2.2286

All results from a given calculation for HCN (Hydrogen cyanide)

using model chemistry: MP2/aug-cc-pVQZ

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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