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	hartrees
Energy at 0K	-2665.413883
Energy at 298.15K
HF Energy	-2664.775884
Nuclear repulsion energy	125.655592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2324	2204	9.26
2	Σ	605	574	0.34
3	Π	382	362	2.56
3	Π	382	362	2.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.133
N2	0.000	0.000	-2.287
Br3	0.000	0.000	0.652

	C1	N2	Br3
C1		1.1535	1.7848
N2	1.1535		2.9383
Br3	1.7848	2.9383

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

using model chemistry: CCSD=FULL/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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