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	hartrees
Energy at 0K	-16.017276
Energy at 298.15K	-16.017358
HF Energy	-15.725451
Nuclear repulsion energy	12.102224

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	3462	3299	63.14	35.03	0.25	0.40
2	Σ	1978	1884	0.37	30.39	0.16	0.27
3	Π	712	678	51.82	0.26	0.75	0.86
3	Π	712	678	51.82	0.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.514
H2	0.000	0.000	-1.586
N3	0.000	0.000	0.668

	C1	H2	N3
C1		1.0721	1.1820
H2	1.0721		2.2541
N3	1.1820	2.2541

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

using model chemistry: MP2/CEP-121G*

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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