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	hartrees
Energy at 0K	-93.281138
Energy at 298.15K	-93.281252
HF Energy	-93.281138
Nuclear repulsion energy	23.422938

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	3415	3368	47.07	36.48	0.23	0.37
2	Σ	2071	2042	0.42	33.07	0.26	0.41
3	Π	750	739	57.81	0.08	0.75	0.86
3	Π	750	739	57.81	0.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.513
H2	0.000	0.000	-1.589
N3	0.000	0.000	0.667

	C1	H2	N3
C1		1.0755	1.1804
H2	1.0755		2.2559
N3	1.1804	2.2559

Number	Element	Mulliken
1	C	-0.002
2	H	0.256
3	N	-0.254

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

using model chemistry: PBEPBE/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>	14.064
(<r²>)^1/2	3.750