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	hartrees
Energy at 0K	-2666.977536
Energy at 298.15K
HF Energy	-2666.977536
Nuclear repulsion energy	125.042125

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	2329	2230	26.93	94.56	0.24	0.39
2	Σ	604	578	0.87	6.21	0.08	0.15
3	Π	359	343	2.09	1.05	0.75	0.86
3	Π	359	343	2.09	1.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.138
N2	0.000	0.000	-2.298
Br3	0.000	0.000	0.655

	C1	N2	Br3
C1		1.1599	1.7931
N2	1.1599		2.9530
Br3	1.7931	2.9530

Number	Element	Mulliken
1	C	-0.385
2	N	-0.158
3	Br	0.543

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

using model chemistry: wB97X-D/aug-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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<r²>	78.990
(<r²>)^1/2	8.888