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	hartrees
Energy at 0K	-93.396221
Energy at 298.15K	-93.396371
HF Energy	-93.396221
Nuclear repulsion energy	23.890575

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	3491	3491	77.37	23.46	0.26	0.41
2	Σ	2263	2263	3.91	37.87	0.21	0.35
3	Π	795	795	35.36	0.05	0.75	0.86
3	Π	795	795	35.36	0.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.500
H2	0.000	0.000	-1.576
N3	0.000	0.000	0.653

	C1	H2	N3
C1		1.0765	1.1528
H2	1.0765		2.2293
N3	1.1528	2.2293

Number	Element	Mulliken
1	C	-0.011
2	H	0.104
3	N	-0.093

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

using model chemistry: M06-2X/cc-pVDZ

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>	13.736
(<r²>)^1/2	3.706