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	hartrees
Energy at 0K	-93.343283
Energy at 298.15K	-93.343382
HF Energy	-93.343283
Nuclear repulsion energy	23.800296

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	3358	3330	58.62	32.75	0.23	0.37
2	Σ	2120	2103	0.13	59.33	0.09	0.16
3	Π	726	720	38.12	0.30	0.75	0.86
3	Π	726	720	38.12	0.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.502
H2	0.000	0.000	-1.578
N3	0.000	0.000	0.656

	C1	H2	N3
C1		1.0753	1.1582
H2	1.0753		2.2336
N3	1.1582	2.2336

Number	Element	Mulliken
1	C	0.429
2	H	0.257
3	N	-0.686

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

using model chemistry: PBEPBE/6-311+G(3df,2p)

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>	14.010
(<r²>)^1/2	3.743