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	hartrees
Energy at 0K	-93.377077
Energy at 298.15K	-93.377157
HF Energy	-93.377077
Nuclear repulsion energy	23.656506

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	3387	3387	49.77	36.25	0.24	0.39
2	Σ	2114	2114	0.13	68.06	0.07	0.13
3	Π	702	702	38.39	0.18	0.75	0.86
3	Π	702	702	38.39	0.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.506
H2	0.000	0.000	-1.584
N3	0.000	0.000	0.660

	C1	H2	N3
C1		1.0778	1.1661
H2	1.0778		2.2439
N3	1.1661	2.2439

Number	Element	Mulliken
1	C	0.401
2	H	-0.272
3	N	-0.129

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

using model chemistry: B97D3/daug-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>	14.067
(<r²>)^1/2	3.751