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	hartrees
Energy at 0K	-2665.161794
Energy at 298.15K
HF Energy	-2664.674163
Nuclear repulsion energy	123.324365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2075	2023
2	Σ	578	563
3	Π	340	331
3	Π	340	331

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.146
N2	0.000	0.000	-2.336
Br3	0.000	0.000	0.664

	C1	N2	Br3
C1		1.1903	1.8091
N2	1.1903		2.9993
Br3	1.8091	2.9993

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

using model chemistry: MP4=FULL/aug-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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