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	hartrees
Energy at 0K	-2665.476219
Energy at 298.15K
HF Energy	-2664.776388
Nuclear repulsion energy	125.360616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2249	2249
2	Σ	595	595
3	Π	355	355
3	Π	355	355

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.133
N2	0.000	0.000	-2.294
Br3	0.000	0.000	0.653

	C1	N2	Br3
C1		1.1608	1.7861
N2	1.1608		2.9469
Br3	1.7861	2.9469

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

using model chemistry: QCISD(T)=FULL/daug-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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