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	hartrees
Energy at 0K	-2665.481867
Energy at 298.15K
HF Energy	-2664.731495
Nuclear repulsion energy	124.966088

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2230	2230
2	Σ	592	592
3	Π	358	358
3	Π	358	358

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.137
N2	0.000	0.000	-2.301
Br3	0.000	0.000	0.655

	C1	N2	Br3
C1		1.1634	1.7923
N2	1.1634		2.9557
Br3	1.7923	2.9557

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

using model chemistry: QCISD(T)=FULL/Def2TZVPP

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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