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	hartrees
Energy at 0K	-15.866412
Energy at 298.15K	-15.866493
HF Energy	-15.662637
Nuclear repulsion energy	11.744756

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	3422	3306	32.38	45.88	0.22	0.36
2	Σ	1822	1760	2.75	26.66	0.23	0.37
3	Π	713	689	75.47	1.02	0.75	0.86
3	Π	713	689	75.47	1.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.535
H2	0.000	0.000	-1.618
N3	0.000	0.000	0.690

	C1	H2	N3
C1		1.0836	1.2243
H2	1.0836		2.3078
N3	1.2243	2.3078

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

using model chemistry: MP2/CEP-31G

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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