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	hartrees
Energy at 0K	-2654.050464
Energy at 298.15K
HF Energy	-2654.050464
Nuclear repulsion energy	123.585246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2301	2211	12.28
2	Σ	587	564	0.54
3	Π	476	458	0.63
3	Π	476	458	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.155
N2	0.000	0.000	-2.323
Br3	0.000	0.000	0.663

	C1	N2	Br3
C1		1.1674	1.8181
N2	1.1674		2.9855
Br3	1.8181	2.9855

Number	Element	Mulliken
1	C	-0.035
2	N	-0.419
3	Br	0.454

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

using model chemistry: B3PW91/3-21G

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>	80.115
(<r²>)^1/2	8.951