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	hartrees
Energy at 0K	-93.282004
Energy at 298.15K	-93.282099
HF Energy	-92.912575
Nuclear repulsion energy	23.747384

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	3287	76.99	32.68	0.20	0.33
2	Σ	2037	1931	0.24	36.67	0.11	0.19
3	Π	722	685	36.03	0.20	0.75	0.86
3	Π	722	685	36.03	0.20	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		1.0642	1.1636
H2	1.0642		2.2278
N3	1.1636	2.2278

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

using model chemistry: MP2/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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