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	hartrees
Energy at 0K	-93.229625
Energy at 298.15K	-93.229730
HF Energy	-92.892222
Nuclear repulsion energy	23.628837

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	3479	3294	66.41	29.14	0.27	0.42
2	Σ	2026	1919	0.23	24.80	0.21	0.34
3	Π	739	700	41.28	0.26	0.75	0.86
3	Π	739	700	41.28	0.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.509
H2	0.000	0.000	-1.576
N3	0.000	0.000	0.661

	C1	H2	N3
C1		1.0679	1.1698
H2	1.0679		2.2376
N3	1.1698	2.2376

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

using model chemistry: MP2=FULL/6-311G*

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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