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	hartrees
Energy at 0K	-93.398313
Energy at 298.15K	-93.398419
HF Energy	-93.398313
Nuclear repulsion energy	23.866801

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	3394	3347	47.82	29.98	0.24	0.39
2	Σ	2128	2098	0.13	45.96	0.15	0.26
3	Π	734	724	36.54	0.20	0.75	0.86
3	Π	734	724	36.54	0.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.501
H2	0.000	0.000	-1.572
N3	0.000	0.000	0.654

	C1	H2	N3
C1		1.0703	1.1554
H2	1.0703		2.2257
N3	1.1554	2.2257

Number	Element	Mulliken
1	C	-0.073
2	H	0.130
3	N	-0.057

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

using model chemistry: B97D3/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>	13.835
(<r²>)^1/2	3.720