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	hartrees
Energy at 0K	-508.483879
Energy at 298.15K
HF Energy	-507.819642
Nuclear repulsion energy	94.921113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2245	2245
2	Σ	591	591
3	Π	369	369
3	Π	369	369

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.134
N2	0.000	0.000	-2.296
Br3	0.000	0.000	0.654

	C1	N2	Br3
C1		1.1622	1.7875
N2	1.1622		2.9497
Br3	1.7875	2.9497

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

using model chemistry: CCSD(T)=FULL/cc-pVTZ-PP

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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