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	hartrees
Energy at 0K	-2638.915252
Energy at 298.15K
HF Energy	-2638.915252
Nuclear repulsion energy	121.951172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	2235	2235	2.22	15.48	0.21	0.35
2	Σ	582	582	5.48	6.83	0.31	0.47
3	Π	352	352	1.90	0.35	0.75	0.86
3	Π	352	352	1.90	0.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.151
N2	0.000	0.000	-2.367
Br3	0.000	0.000	0.671

	C1	N2	Br3
C1		1.2154	1.8222
N2	1.2154		3.0377
Br3	1.8222	3.0377

Number	Element	Mulliken
1	C	-0.039
2	N	-0.156
3	Br	0.195

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

using model chemistry: B97D3/STO-3G

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>	80.402
(<r²>)^1/2	8.967