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	hartrees
Energy at 0K	-93.392489
Energy at 298.15K	-93.392623
HF Energy	-93.392489
Nuclear repulsion energy	23.654208

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	3500	3367	58.02	30.16	0.22	0.37
2	Σ	2149	2067	2.01	32.90	0.24	0.39
3	Π	778	748	57.86	0.19	0.75	0.86
3	Π	778	748	57.86	0.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.508
H2	0.000	0.000	-1.575
N3	0.000	0.000	0.660

	C1	H2	N3
C1		1.0665	1.1685
H2	1.0665		2.2351
N3	1.1685	2.2351

Number	Element	Mulliken
1	C	-0.012
2	H	0.256
3	N	-0.243

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

using model chemistry: B3LYP/6-31G

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>	13.930
(<r²>)^1/2	3.732