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	hartrees
Energy at 0K	-93.344993
Energy at 298.15K	-93.345114
HF Energy	-93.245266
Nuclear repulsion energy	23.657670

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	3482	3338	67.00	30.19	0.26	0.41
2	Σ	2125	2037	0.37	33.46	0.21	0.35
3	Π	755	724	34.68	0.06	0.75	0.86
3	Π	755	724	34.68	0.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.506
H2	0.000	0.000	-1.582
N3	0.000	0.000	0.660

	C1	H2	N3
C1		1.0762	1.1664
H2	1.0762		2.2425
N3	1.1664	2.2425

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

using model chemistry: B2PLYP=FULL/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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