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	hartrees
Energy at 0K	-509.735174
Energy at 298.15K
HF Energy	-509.735174
Nuclear repulsion energy	95.216536

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	2339	2339	23.70	81.40	0.27	0.43
2	Σ	600	600	0.48	4.77	0.12	0.22
3	Π	373	373	2.05	1.26	0.75	0.86
3	Π	373	373	2.05	1.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.137
N2	0.000	0.000	-2.286
Br3	0.000	0.000	0.652

	C1	N2	Br3
C1		1.1494	1.7891
N2	1.1494		2.9386
Br3	1.7891	2.9386

Number	Element	Mulliken
1	C	-0.155
2	N	-0.029
3	Br	0.185

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

using model chemistry: wB97X-D/cc-pVTZ-PP

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>	73.882
(<r²>)^1/2	8.595