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	hartrees
Energy at 0K	-93.158944
Energy at 298.15K	-93.159030
HF Energy	-92.869955
Nuclear repulsion energy	23.497015

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	3511	3311	63.94	32.88	0.25	0.40
2	Σ	2040	1924	0.12	21.54	0.24	0.39
3	Π	721	680	38.51	0.01	0.75	0.86
3	Π	721	680	38.51	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.512
H2	0.000	0.000	-1.582
N3	0.000	0.000	0.665

	C1	H2	N3
C1		1.0694	1.1772
H2	1.0694		2.2467
N3	1.1772	2.2467

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

using model chemistry: MP2/6-31G*

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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