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	hartrees
Energy at 0K	-2665.352727
Energy at 298.15K
HF Energy	-2664.777009
Nuclear repulsion energy	125.467333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2316	2217	11.23
2	Σ	605	579	0.31
3	Π	366	350	2.51
3	Π	366	350	2.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.135
N2	0.000	0.000	-2.290
Br3	0.000	0.000	0.653

	C1	N2	Br3
C1		1.1547	1.7878
N2	1.1547		2.9425
Br3	1.7878	2.9425

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

using model chemistry: CCD/aug-cc-pVTZ

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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