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	hartrees
Energy at 0K	-2662.571780
Energy at 298.15K
HF Energy	-2662.168005
Nuclear repulsion energy	124.514697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2325	2180	6.44
2	Σ	587	550	0.56
3	Π	384	360	2.89
3	Π	384	360	2.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.142
N2	0.000	0.000	-2.308
Br3	0.000	0.000	0.658

	C1	N2	Br3
C1		1.1661	1.7998
N2	1.1661		2.9659
Br3	1.7998	2.9659

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

using model chemistry: CCD/6-31G**

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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