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	hartrees
Energy at 0K	-93.386435
Energy at 298.15K	-93.386538
HF Energy	-93.386435
Nuclear repulsion energy	23.806887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	3387	3387	37.06	29.90	0.27	0.43
2	Σ	2125	2125	0.25	39.89	0.22	0.36
3	Π	736	736	39.35	0.41	0.75	0.86
3	Π	736	736	39.35	0.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.503
H2	0.000	0.000	-1.575
N3	0.000	0.000	0.656

	C1	H2	N3
C1		1.0728	1.1584
H2	1.0728		2.2311
N3	1.1584	2.2311

Number	Element	Mulliken
1	C	-0.063
2	H	0.286
3	N	-0.223

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

using model chemistry: B97D3/6-311G*

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>	13.837
(<r²>)^1/2	3.720