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	hartrees
Energy at 0K	-2665.143159
Energy at 298.15K
HF Energy	-2664.675974
Nuclear repulsion energy	123.383649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2184	2136
2	Σ	578	565
3	Π	339	331
3	Π	339	331

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.150
N2	0.000	0.000	-2.332
Br3	0.000	0.000	0.663

	C1	N2	Br3
C1		1.1821	1.8129
N2	1.1821		2.9950
Br3	1.8129	2.9950

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

using model chemistry: QCISD(T)/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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