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	hartrees
Energy at 0K	-2662.594177
Energy at 298.15K
HF Energy	-2662.165943
Nuclear repulsion energy	123.918124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2229	2138
2	Σ	571	548
3	Π	368	353
3	Π	368	353

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.145
N2	0.000	0.000	-2.322
Br3	0.000	0.000	0.661

	C1	N2	Br3
C1		1.1768	1.8054
N2	1.1768		2.9822
Br3	1.8054	2.9822

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

using model chemistry: QCISD(T)/6-31G*

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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