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	hartrees
Energy at 0K	-508.452314
Energy at 298.15K
HF Energy	-507.817729
Nuclear repulsion energy	95.238890

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	2139	2139	3.99	59.76	0.28	0.44
2	Σ	610	610	1.49	4.80	0.13	0.23
3	Π	371	371	1.76	0.76	0.75	0.86
3	Π	371	371	1.76	0.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.121
N2	0.000	0.000	-2.293
Br3	0.000	0.000	0.651

	C1	N2	Br3
C1		1.1714	1.7717
N2	1.1714		2.9432
Br3	1.7717	2.9432

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

using model chemistry: MP2=FULL/cc-pVTZ-PP

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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