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	hartrees
Energy at 0K	-92.907630
Energy at 298.15K	-92.907840
HF Energy	-92.907630
Nuclear repulsion energy	23.794288

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	3496	3374	56.72	26.11	0.23	0.37
2	Σ	2176	2099	0.41	26.84	0.26	0.41
3	Π	901	869	55.84	0.03	0.75	0.86
3	Π	901	869	55.84	0.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.504
H2	0.000	0.000	-1.568
N3	0.000	0.000	0.656

	C1	H2	N3
C1		1.0637	1.1609
H2	1.0637		2.2247
N3	1.1609	2.2247

Number	Element	Mulliken
1	C	0.079
2	H	0.311
3	N	-0.390

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

using model chemistry: B3LYPultrafine/3-21G

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>	13.815
(<r²>)^1/2	3.717