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	hartrees
Energy at 0K	-93.309561
Energy at 298.15K	-93.309663
HF Energy	-93.309561
Nuclear repulsion energy	23.606653

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	3396	3349	48.77	33.31	0.23	0.38
2	Σ	2132	2103	0.45	34.38	0.25	0.40
3	Π	735	725	36.22	0.00	0.75	0.86
3	Π	735	725	36.22	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.508
H2	0.000	0.000	-1.585
N3	0.000	0.000	0.662

	C1	H2	N3
C1		1.0775	1.1691
H2	1.0775		2.2466
N3	1.1691	2.2466

Number	Element	Mulliken
1	C	0.147
2	H	0.210
3	N	-0.356

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

using model chemistry: PBEPBEultrafine/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>	13.855
(<r²>)^1/2	3.722