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	hartrees
Energy at 0K	-93.257874
Energy at 298.15K	-93.257995
HF Energy	-92.907173
Nuclear repulsion energy	23.922585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3457	3297	65.49
2	Σ	2163	2062	0.68
3	Π	754	719	35.15
3	Π	754	719	35.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.500
H2	0.000	0.000	-1.567
N3	0.000	0.000	0.653

	C1	H2	N3
C1		1.0668	1.1529
H2	1.0668		2.2197
N3	1.1529	2.2197

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

using model chemistry: QCISD/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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