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	hartrees
Energy at 0K	-2666.570665
Energy at 298.15K
HF Energy	-2666.299963
Nuclear repulsion energy	124.795697

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	2219	2219	10.68	68.20	0.29	0.45
2	Σ	589	589	1.19	4.69	0.21	0.34
3	Π	355	355	2.02	1.50	0.75	0.86
3	Π	355	355	2.02	1.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.139
N2	0.000	0.000	-2.303
Br3	0.000	0.000	0.656

	C1	N2	Br3
C1		1.1641	1.7954
N2	1.1641		2.9595
Br3	1.7954	2.9595

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

using model chemistry: B2PLYP=FULL/6-311G**

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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