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	hartrees
Energy at 0K	-2664.646234
Energy at 298.15K
HF Energy	-2664.646234
Nuclear repulsion energy	123.818381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2284	2179	19.83
2	Σ	567	541	0.52
3	Π	404	386	1.12
3	Π	404	386	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.150
N2	0.000	0.000	-2.321
Br3	0.000	0.000	0.661

	C1	N2	Br3
C1		1.1714	1.8108
N2	1.1714		2.9822
Br3	1.8108	2.9822

Number	Element	Mulliken
1	C	-0.111
2	N	-0.301
3	Br	0.411

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

using model chemistry: B1B95/6-31G

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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<r²>	80.045
(<r²>)^1/2	8.947