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	hartrees
Energy at 0K	-105.913208
Energy at 298.15K
HF Energy	-105.913208
Nuclear repulsion energy	39.601350

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	2270	2270	15.55	67.55	0.20	0.33
2	Σ	569	569	0.07	7.50	0.40	0.57
3	Π	372	372	0.44	0.95	0.75	0.86
3	Π	372	372	0.44	0.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.167
N2	0.000	0.000	-2.344
Br3	0.000	0.000	0.669

	C1	N2	Br3
C1		1.1769	1.8356
N2	1.1769		3.0124
Br3	1.8356	3.0124

Number	Element	Mulliken
1	C	-0.190
2	N	0.013
3	Br	0.177

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

using model chemistry: wB97X-D/LANL2DZ

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>	67.185
(<r²>)^1/2	8.197