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	hartrees
Energy at 0K	-93.261139
Energy at 298.15K	-93.261250
HF Energy	-92.911585
Nuclear repulsion energy	23.916426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3460	3460	64.32
2	Σ	2166	2166	0.55
3	Π	744	744	35.94
3	Π	744	744	35.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.501
H2	0.000	0.000	-1.567
N3	0.000	0.000	0.653

	C1	H2	N3
C1		1.0663	1.1534
H2	1.0663		2.2197
N3	1.1534	2.2197

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

using model chemistry: QCISD/Def2TZVPP

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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