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	hartrees
Energy at 0K	-93.406373
Energy at 298.15K
HF Energy	-93.406373
Nuclear repulsion energy	23.889278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3383	3383	51.50
2	Σ	2128	2128	0.11
3	Π	731	731	37.11
3	Π	731	731	37.11

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		2.2245
N3	1.1541	2.2245

Number	Element	Mulliken
1	C	-0.140
2	H	0.207
3	N	-0.068

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

using model chemistry: B97D3/cc-pCVQZ

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>	13.866
(<r²>)^1/2	3.724