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	hartrees
Energy at 0K	-2666.469038
Energy at 298.15K
HF Energy	-2666.469038
Nuclear repulsion energy	124.477845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2202	2179	24.18
2	Σ	574	568	2.79
3	Π	355	351	1.21
3	Π	355	351	1.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.140
N2	0.000	0.000	-2.311
Br3	0.000	0.000	0.658

	C1	N2	Br3
C1		1.1704	1.7979
N2	1.1704		2.9683
Br3	1.7979	2.9683

Number	Element	Mulliken
1	C	0.008
2	N	-0.217
3	Br	0.209

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

using model chemistry: PBEPBE/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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<r²>	79.344
(<r²>)^1/2	8.908