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	hartrees
Energy at 0K	-2665.473533
Energy at 298.15K
HF Energy	-2664.783896
Nuclear repulsion energy	125.169017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2235	2167
2	Σ	594	576
3	Π	349	338
3	Π	349	338

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.135
N2	0.000	0.000	-2.297
Br3	0.000	0.000	0.654

	C1	N2	Br3
C1		1.1620	1.7891
N2	1.1620		2.9511
Br3	1.7891	2.9511

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

using model chemistry: CCSD(T)/cc-pVQZ

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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