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	hartrees
Energy at 0K	-2666.550534
Energy at 298.15K
HF Energy	-2666.346679
Nuclear repulsion energy	124.775193

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	2225	2123	12.51	80.83	0.24	0.38
2	Σ	580	553	1.27	4.71	0.23	0.38
3	Π	355	339	1.36	1.50	0.75	0.86
3	Π	355	339	1.36	1.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.141
N2	0.000	0.000	-2.303
Br3	0.000	0.000	0.656

	C1	N2	Br3
C1		1.1617	1.7973
N2	1.1617		2.9590
Br3	1.7973	2.9590

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

using model chemistry: B2PLYP=FULL/TZVP

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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