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	hartrees
Energy at 0K	-2664.194984
Energy at 298.15K
HF Energy	-2664.002544
Nuclear repulsion energy	126.287194

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	2250	2250	13.57	65.29	0.31	0.47
2	Σ	628	628	1.13	6.07	0.14	0.24
3	Π	395	395	2.18	1.30	0.75	0.86
3	Π	395	395	2.18	1.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.117
N2	0.000	0.000	-2.282
Br3	0.000	0.000	0.648

	C1	N2	Br3
C1		1.1646	1.7653
N2	1.1646		2.9298
Br3	1.7653	2.9298

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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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