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	hartrees
Energy at 0K	-2665.444690
Energy at 298.15K
HF Energy	-2664.774597
Nuclear repulsion energy	125.271053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2247	2153
2	Σ	595	570
3	Π	370	355
3	Π	370	355

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.134
N2	0.000	0.000	-2.296
Br3	0.000	0.000	0.653

	C1	N2	Br3
C1		1.1621	1.7870
N2	1.1621		2.9491
Br3	1.7870	2.9491

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

using model chemistry: CCSD(T)=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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