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	hartrees
Energy at 0K	-92.791269
Energy at 298.15K	-92.791484
HF Energy	-92.791269
Nuclear repulsion energy	23.802532

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	3513	3373	59.96	24.67	0.22	0.36
2	Σ	2192	2105	0.56	27.26	0.26	0.42
3	Π	909	873	59.10	0.06	0.75	0.86
3	Π	909	873	59.10	0.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.504
H2	0.000	0.000	-1.569
N3	0.000	0.000	0.656

	C1	H2	N3
C1		1.0646	1.1603
H2	1.0646		2.2249
N3	1.1603	2.2249

Number	Element	Mulliken
1	C	0.070
2	H	0.338
3	N	-0.408

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

using model chemistry: PBE1PBE/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>	13.828
(<r²>)^1/2	3.719