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	hartrees
Energy at 0K	-93.433825
Energy at 298.15K	-93.433957
HF Energy	-93.433825
Nuclear repulsion energy	23.738095

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	3463	3368	56.57	30.56	0.26	0.41
2	Σ	2177	2117	1.40	38.56	0.21	0.35
3	Π	770	749	36.41	0.09	0.75	0.86
3	Π	770	749	36.41	0.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.504
H2	0.000	0.000	-1.581
N3	0.000	0.000	0.658

	C1	H2	N3
C1		1.0770	1.1615
H2	1.0770		2.2385
N3	1.1615	2.2385

Number	Element	Mulliken
1	C	0.018
2	H	0.109
3	N	-0.127

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

using model chemistry: TPSSh/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>	13.796
(<r²>)^1/2	3.714