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	hartrees
Energy at 0K	-2664.808879
Energy at 298.15K
HF Energy	-2664.808879
Nuclear repulsion energy	125.959718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2350	2230	28.62
2	Σ	607	576	1.56
3	Π	410	389	2.23
3	Π	410	389	2.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.125
N2	0.000	0.000	-2.285
Br3	0.000	0.000	0.650

	C1	N2	Br3
C1		1.1598	1.7747
N2	1.1598		2.9345
Br3	1.7747	2.9345

Number	Element	Mulliken
1	C	0.325
2	N	-0.385
3	Br	0.060

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>	77.701
(<r²>)^1/2	8.815