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	hartrees
Energy at 0K	-2667.083871
Energy at 298.15K
HF Energy	-2667.083871
Nuclear repulsion energy	125.763295

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	2338	2338	26.20	97.35	0.24	0.38
2	Σ	604	604	0.65	5.93	0.06	0.11
3	Π	371	371	2.19	0.98	0.75	0.86
3	Π	371	371	2.19	0.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.135
N2	0.000	0.000	-2.283
Br3	0.000	0.000	0.651

	C1	N2	Br3
C1		1.1482	1.7860
N2	1.1482		2.9342
Br3	1.7860	2.9342

Number	Element	Mulliken
1	C	-0.148
2	N	-0.370
3	Br	0.518

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

using model chemistry: wB97X-D/aug-cc-pVQZ

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>	78.199
(<r²>)^1/2	8.843