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	hartrees
Energy at 0K	-93.426630
Energy at 298.15K
HF Energy	-93.426630
Nuclear repulsion energy	24.115541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3465	3465	64.22
2	Σ	2227	2227	1.53
3	Π	768	768	35.69
3	Π	768	768	35.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.495
H2	0.000	0.000	-1.560
N3	0.000	0.000	0.647

	C1	H2	N3
C1		1.0646	1.1424
H2	1.0646		2.2070
N3	1.1424	2.2070

Number	Element	Mulliken
1	C	-0.067
2	H	0.165
3	N	-0.097

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

using model chemistry: B1B95/cc-pCVQZ

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>	13.707
(<r²>)^1/2	3.702