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	hartrees
Energy at 0K	-2665.117788
Energy at 298.15K
HF Energy	-2664.675087
Nuclear repulsion energy	123.929539

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	2079	2079	3.49	76.86	0.24	0.38
2	Σ	598	598	2.03	7.13	0.08	0.14
3	Π	345	345	1.42	0.66	0.75	0.86
3	Π	345	345	1.42	0.66	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.136
N2	0.000	0.000	-2.327
Br3	0.000	0.000	0.660

	C1	N2	Br3
C1		1.1913	1.7961
N2	1.1913		2.9873
Br3	1.7961	2.9873

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

using model chemistry: MP2/daug-cc-pVDZ

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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