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	hartrees
Energy at 0K	-2662.566681
Energy at 298.15K	-2662.569145
HF Energy	-2662.164233
Nuclear repulsion energy	124.346241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2126	2005	1.98
2	Σ	590	556	2.04
3	Π	377	355	2.41
3	Π	377	355	2.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.173
N2	0.000	0.000	-2.346
Br3	0.000	0.000	0.670

	C1	N2	Br3
C1		1.1732	1.8429
N2	1.1732		3.0161
Br3	1.8429	3.0161

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

using model chemistry: MP2/6-31G*

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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