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	hartrees
Energy at 0K	-2664.648427
Energy at 298.15K
HF Energy	-2664.648427
Nuclear repulsion energy	125.788370

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2343	2230	29.47
2	Σ	605	576	1.62
3	Π	411	391	2.18
3	Π	411	391	2.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.127
N2	0.000	0.000	-2.288
Br3	0.000	0.000	0.651

	C1	N2	Br3
C1		1.1609	1.7775
N2	1.1609		2.9383
Br3	1.7775	2.9383

Number	Element	Mulliken
1	C	0.338
2	N	-0.405
3	Br	0.067

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

using model chemistry: mPW1PW91/6-31G**

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>	77.900
(<r²>)^1/2	8.826