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	hartrees
Energy at 0K	-2663.966740
Energy at 298.15K
HF Energy	-2663.819432
Nuclear repulsion energy	124.818426

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	2237	2237	12.14	57.66	0.33	0.49
2	Σ	587	587	1.65	5.52	0.19	0.32
3	Π	395	395	2.29	2.13	0.75	0.86
3	Π	395	395	2.29	2.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.135
N2	0.000	0.000	-2.306
Br3	0.000	0.000	0.656

	C1	N2	Br3
C1		1.1710	1.7906
N2	1.1710		2.9616
Br3	1.7906	2.9616

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

using model chemistry: B2PLYP=FULL/6-31G**

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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