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	hartrees
Energy at 0K	-2665.784818
Energy at 298.15K
HF Energy	-2665.784818
Nuclear repulsion energy	125.044472

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	2218	2180	35.45	90.82	0.30	0.46
2	Σ	573	564	3.64	7.14	0.14	0.24
3	Π	392	386	0.87	2.10	0.75	0.86
3	Π	392	386	0.87	2.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.130
N2	0.000	0.000	-2.304
Br3	0.000	0.000	0.654

	C1	N2	Br3
C1		1.1743	1.7840
N2	1.1743		2.9583
Br3	1.7840	2.9583

Number	Element	Mulliken
1	C	0.225
2	N	-0.299
3	Br	0.074

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

using model chemistry: B97D3/6-31+G**

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>	78.982
(<r²>)^1/2	8.887