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	hartrees
Energy at 0K	-2665.437331
Energy at 298.15K
HF Energy	-2664.774051
Nuclear repulsion energy	125.872373

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	2138	2034	5.95	80.10	0.25	0.40
2	Σ	613	583	1.53	5.82	0.06	0.11
3	Π	355	338	1.88	0.62	0.75	0.86
3	Π	355	338	1.88	0.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.120
N2	0.000	0.000	-2.290
Br3	0.000	0.000	0.650

	C1	N2	Br3
C1		1.1706	1.7698
N2	1.1706		2.9403
Br3	1.7698	2.9403

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

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

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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