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	hartrees
Energy at 0K	-93.318948
Energy at 298.15K	-93.319063
HF Energy	-93.318948
Nuclear repulsion energy	23.587615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3388	3388	54.37
2	Σ	2120	2120	0.39
3	Π	740	740	34.40
3	Π	740	740	34.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.507
H2	0.000	0.000	-1.592
N3	0.000	0.000	0.662

	C1	H2	N3
C1		1.0849	1.1687
H2	1.0849		2.2536
N3	1.1687	2.2536

Number	Element	Mulliken
1	C	-0.003
2	H	0.088
3	N	-0.085

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

using model chemistry: PBEPBE/cc-pCVDZ

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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<r²>	13.917
(<r²>)^1/2	3.731