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	hartrees
Energy at 0K	-2662.941336
Energy at 298.15K
HF Energy	-2662.356932
Nuclear repulsion energy	126.813131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2174	2043	5.05
2	Σ	653	614	1.44
3	Π	412	388	2.23
3	Π	412	388	2.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.105
N2	0.000	0.000	-2.278
Br3	0.000	0.000	0.645

	C1	N2	Br3
C1		1.1733	1.7496
N2	1.1733		2.9229
Br3	1.7496	2.9229

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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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