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	hartrees
Energy at 0K	-2665.456151
Energy at 298.15K
HF Energy	-2664.729745
Nuclear repulsion energy	125.474143

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	2130	2130	4.21	65.79	0.27	0.42
2	Σ	611	611	1.50	4.73	0.13	0.24
3	Π	363	363	1.85	0.85	0.75	0.86
3	Π	363	363	1.85	0.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.125
N2	0.000	0.000	-2.297
Br3	0.000	0.000	0.652

	C1	N2	Br3
C1		1.1719	1.7768
N2	1.1719		2.9488
Br3	1.7768	2.9488

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

using model chemistry: MP2=FULL/Def2TZVPP

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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