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	hartrees
Energy at 0K	-2665.116442
Energy at 298.15K
HF Energy	-2664.666961
Nuclear repulsion energy	123.216008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2091	2022
2	Σ	577	558
3	Π	332	321
3	Π	332	321

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.147
N2	0.000	0.000	-2.337
Br3	0.000	0.000	0.664

	C1	N2	Br3
C1		1.1899	1.8115
N2	1.1899		3.0014
Br3	1.8115	3.0014

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

using model chemistry: MP4/cc-pVDZ

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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