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	hartrees
Energy at 0K	-2665.129680
Energy at 298.15K
HF Energy	-2664.674230
Nuclear repulsion energy	124.017617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	2084	2020	3.75	75.80	0.25	0.40
2	Σ	599	580	2.00	6.71	0.09	0.17
3	Π	348	337	1.52	0.65	0.75	0.86
3	Π	348	337	1.52	0.65	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.135
N2	0.000	0.000	-2.326
Br3	0.000	0.000	0.660

	C1	N2	Br3
C1		1.1905	1.7947
N2	1.1905		2.9852
Br3	1.7947	2.9852

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

using model chemistry: MP2=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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