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	hartrees
Energy at 0K	-2665.392062
Energy at 298.15K
HF Energy	-2664.775405
Nuclear repulsion energy	124.836656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2214	2214
2	Σ	589	589
3	Π	350	350
3	Π	350	350

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.137
N2	0.000	0.000	-2.304
Br3	0.000	0.000	0.656

	C1	N2	Br3
C1		1.1663	1.7931
N2	1.1663		2.9594
Br3	1.7931	2.9594

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

using model chemistry: QCISD(T)/daug-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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