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	hartrees
Energy at 0K	-93.296829
Energy at 298.15K	-93.296938
HF Energy	-92.905444
Nuclear repulsion energy	23.752707

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	3480	3281	78.78	33.37	0.19	0.32
2	Σ	2040	1923	0.18	42.46	0.08	0.15
3	Π	739	697	36.35	0.22	0.75	0.86
3	Π	739	697	36.35	0.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.506
H2	0.000	0.000	-1.570
N3	0.000	0.000	0.658

	C1	H2	N3
C1		1.0640	1.1633
H2	1.0640		2.2273
N3	1.1633	2.2273

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

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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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