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	hartrees
Energy at 0K	-2665.359737
Energy at 298.15K
HF Energy	-2664.776495
Nuclear repulsion energy	125.207765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2284	2198	10.81
2	Σ	598	576	0.54
3	Π	362	348	2.31
3	Π	362	348	2.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.137
N2	0.000	0.000	-2.295
Br3	0.000	0.000	0.654

	C1	N2	Br3
C1		1.1582	1.7908
N2	1.1582		2.9490
Br3	1.7908	2.9490

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

using model chemistry: QCISD/aug-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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