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	hartrees
Energy at 0K	-2668.214456
Energy at 298.15K
HF Energy	-2668.214456
Nuclear repulsion energy	124.085577

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	2195	2195	28.48	90.20	0.25	0.40
2	Σ	566	566	3.29	9.56	0.11	0.19
3	Π	341	341	1.02	1.02	0.75	0.86
3	Π	341	341	1.02	1.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.143
N2	0.000	0.000	-2.318
Br3	0.000	0.000	0.660

	C1	N2	Br3
C1		1.1752	1.8029
N2	1.1752		2.9781
Br3	1.8029	2.9781

Number	Element	Mulliken
1	C	-0.350
2	N	-0.180
3	Br	0.530

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

using model chemistry: B97D3/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>	79.855
(<r²>)^1/2	8.936