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	hartrees
Energy at 0K	-2666.338311
Energy at 298.15K	-2666.334169
HF Energy	-2666.695368
Nuclear repulsion energy	124.445889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2309	2217	25.37
2	Σ	582	559	1.50
3	Π	403	387	2.21
3	Π	403	387	2.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.137
N2	0.000	0.000	-2.301
Br3	0.000	0.000	0.655

	C1	N2	Br3
C1		1.1636	1.7920
N2	1.1636		2.9556
Br3	1.7920	2.9556

Number	Element	Mulliken
1	C	0.335
2	N	-0.391
3	Br	0.055

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

using model chemistry: G3B3

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>	78.697
(<r²>)^1/2	8.871