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	hartrees
Energy at 0K	-92.910229
Energy at 298.15K	-92.910430
HF Energy	-92.910229
Nuclear repulsion energy	24.464315

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	3616	3291	66.70	14.15	0.24	0.39
2	Σ	2407	2190	9.88	51.64	0.13	0.22
3	Π	877	798	35.53	0.76	0.75	0.86
3	Π	877	798	35.53	0.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.487
H2	0.000	0.000	-1.544
N3	0.000	0.000	0.638

	C1	H2	N3
C1		1.0568	1.1247
H2	1.0568		2.1814
N3	1.1247	2.1814

Number	Element	Mulliken
1	C	-0.082
2	H	0.198
3	N	-0.115

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

using model chemistry: HF/cc-pVTZ

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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	x	y	z	Total
	0.000	0.000	-3.227	3.227
CHELPG
AIM	0.000	0.000	2.201	2.201
ESP	0.000	0.000	-3.200	3.200

<r²>	13.537
(<r²>)^1/2	3.679