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	hartrees
Energy at 0K	-93.405412
Energy at 298.15K	-93.405517
HF Energy	-93.405412
Nuclear repulsion energy	23.888592

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	3383	3383	51.62	32.50	0.23	0.38
2	Σ	2129	2129	0.10	52.13	0.12	0.21
3	Π	735	735	37.06	0.27	0.75	0.86
3	Π	735	735	37.06	0.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.501
H2	0.000	0.000	-1.571
N3	0.000	0.000	0.654

	C1	H2	N3
C1		1.0704	1.1541
H2	1.0704		2.2246
N3	1.1541	2.2246

Number	Element	Mulliken
1	C	-0.067
2	H	0.182
3	N	-0.115

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

using model chemistry: B97D3/cc-pVQZ

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>	13.865
(<r²>)^1/2	3.724