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	hartrees
Energy at 0K	-2665.650835
Energy at 298.15K
HF Energy	-2664.687601
Nuclear repulsion energy	125.455988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2308	2308	10.69
2	Σ	604	604	0.38
3	Π	368	368	2.49
3	Π	368	368	2.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.136
N2	0.000	0.000	-2.290
Br3	0.000	0.000	0.653

	C1	N2	Br3
C1		1.1540	1.7885
N2	1.1540		2.9425
Br3	1.7885	2.9425

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

using model chemistry: CCSD=FULL/6-311+G(3df,2p)

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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