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	hartrees
Energy at 0K	-16.082274
Energy at 298.15K	-16.082413
HF Energy	-16.082274
Nuclear repulsion energy	12.100009

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	3472	3472	36.94	33.61	0.22	0.36
2	Σ	2123	2123	1.68	50.05	0.21	0.35
3	Π	785	785	81.99	1.48	0.75	0.86
3	Π	785	785	81.99	1.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.514
H2	0.000	0.000	-1.590
N3	0.000	0.000	0.667

	C1	H2	N3
C1		1.0763	1.1810
H2	1.0763		2.2574
N3	1.1810	2.2574

Number	Element	Mulliken
1	C	-0.566
2	H	0.292
3	N	0.275

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

using model chemistry: wB97X-D/CEP-31G

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>	12.692
(<r²>)^1/2	3.563