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	hartrees
Energy at 0K	-2665.346908
Energy at 298.15K
HF Energy	-2664.729187
Nuclear repulsion energy	125.269335

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	2119	2016	3.93	64.83	0.26	0.42
2	Σ	611	581	1.62	4.89	0.14	0.24
3	Π	356	339	1.83	0.87	0.75	0.86
3	Π	356	339	1.83	0.87	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.126
N2	0.000	0.000	-2.301
Br3	0.000	0.000	0.653

	C1	N2	Br3
C1		1.1746	1.7793
N2	1.1746		2.9539
Br3	1.7793	2.9539

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

using model chemistry: MP2/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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