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	hartrees
Energy at 0K	-93.231892
Energy at 298.15K	-93.232031
HF Energy	-92.909131
Nuclear repulsion energy	24.084375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3528	3281	66.24
2	Σ	2245	2087	1.84
3	Π	777	723	35.48
3	Π	777	723	35.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.497
H2	0.000	0.000	-1.558
N3	0.000	0.000	0.648

	C1	H2	N3
C1		1.0610	1.1449
H2	1.0610		2.2059
N3	1.1449	2.2059

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

using model chemistry: CISD/cc-pVTZ

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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