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	hartrees
Energy at 0K	-2667.276607
Energy at 298.15K
HF Energy	-2667.276607
Nuclear repulsion energy	125.436247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2323	2225	30.09
2	Σ	605	580	1.35
3	Π	362	346	1.79
3	Π	362	346	1.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.132
N2	0.000	0.000	-2.293
Br3	0.000	0.000	0.653

	C1	N2	Br3
C1		1.1603	1.7848
N2	1.1603		2.9452
Br3	1.7848	2.9452

Number	Element	Mulliken
1	C	-0.368
2	N	-0.179
3	Br	0.547

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

using model chemistry: B1B95/aug-cc-pVDZ

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>	78.557
(<r²>)^1/2	8.863