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	hartrees
Energy at 0K	-93.402232
Energy at 298.15K	-93.402344
HF Energy	-93.275183
Nuclear repulsion energy	23.940303

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	3466	3325	69.85	30.41	0.21	0.35
2	Σ	2132	2045	0.28	58.19	0.07	0.13
3	Π	742	712	36.20	0.31	0.75	0.86
3	Π	742	712	36.20	0.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.500
H2	0.000	0.000	-1.563
N3	0.000	0.000	0.652

	C1	H2	N3
C1		1.0626	1.1528
H2	1.0626		2.2154
N3	1.1528	2.2154

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

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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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