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	hartrees
Energy at 0K	-2665.440488
Energy at 298.15K
HF Energy	-2664.785263
Nuclear repulsion energy	125.565464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2313	2199	9.76
2	Σ	604	574	0.45
3	Π	363	345	2.57
3	Π	363	345	2.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.135
N2	0.000	0.000	-2.288
Br3	0.000	0.000	0.652

	C1	N2	Br3
C1		1.1533	1.7867
N2	1.1533		2.9400
Br3	1.7867	2.9400

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

using model chemistry: CCSD/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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