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	hartrees
Energy at 0K	-92.911513
Energy at 298.15K	-92.911712
HF Energy	-92.911513
Nuclear repulsion energy	24.469179

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	3609	3265	70.50	15.22	0.28	0.44
2	Σ	2406	2176	10.93	74.58	0.06	0.10
3	Π	879	795	34.77	0.62	0.75	0.86
3	Π	879	795	34.77	0.62	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		1.0572	1.1243
H2	1.0572		2.1815
N3	1.1243	2.1815

Number	Element	Mulliken
1	C	-1.259
2	H	2.051
3	N	-0.792

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

using model chemistry: HF/daug-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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<r²>	13.576
(<r²>)^1/2	3.685