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	hartrees
Energy at 0K	-2653.523278
Energy at 298.15K
HF Energy	-2653.432063
Nuclear repulsion energy	122.650724

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	2207	2207	1.95	37.36	0.26	0.42
2	Σ	565	565	0.34	7.17	0.34	0.51
3	Π	455	455	0.65	1.14	0.75	0.86
3	Π	455	455	0.65	1.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.165
N2	0.000	0.000	-2.340
Br3	0.000	0.000	0.668

	C1	N2	Br3
C1		1.1751	1.8328
N2	1.1751		3.0079
Br3	1.8328	3.0079

All results from a given calculation for BrCN (Cyanogen bromide)

using model chemistry: B2PLYP=FULLultrafine/3-21G

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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