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	hartrees
Energy at 0K	-2666.871926
Energy at 298.15K
HF Energy	-2666.871926
Nuclear repulsion energy	125.088814

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	2266	2266	24.73	73.44	0.29	0.45
2	Σ	589	589	1.75	5.17	0.21	0.34
3	Π	362	362	1.61	1.68	0.75	0.86
3	Π	362	362	1.61	1.68	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.137
N2	0.000	0.000	-2.298
Br3	0.000	0.000	0.654

	C1	N2	Br3
C1		1.1612	1.7913
N2	1.1612		2.9525
Br3	1.7913	2.9525

Number	Element	Mulliken
1	C	0.061
2	N	-0.270
3	Br	0.209

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

using model chemistry: TPSSh/6-311G**

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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<r²>	78.723
(<r²>)^1/2	8.873