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	hartrees
Energy at 0K	-2664.827313
Energy at 298.15K
HF Energy	-2664.827313
Nuclear repulsion energy	126.794361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2347	2240	28.08
2	Σ	635	606	1.05
3	Π	401	383	2.22
3	Π	401	383	2.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.115
N2	0.000	0.000	-2.271
Br3	0.000	0.000	0.645

	C1	N2	Br3
C1		1.1562	1.7605
N2	1.1562		2.9167
Br3	1.7605	2.9167

Number	Element	Mulliken
1	C	0.059
2	N	-0.299
3	Br	0.240

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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>	76.925
(<r²>)^1/2	8.771