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	hartrees
Energy at 0K	-2653.909726
Energy at 298.15K
HF Energy	-2653.909726
Nuclear repulsion energy	125.105065

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	2305	2212	16.22	50.08	0.32	0.49
2	Σ	614	589	1.11	4.65	0.22	0.36
3	Π	432	414	0.63	2.10	0.75	0.86
3	Π	432	414	0.63	2.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.133
N2	0.000	0.000	-2.300
Br3	0.000	0.000	0.654

	C1	N2	Br3
C1		1.1671	1.7873
N2	1.1671		2.9543
Br3	1.7873	2.9543

Number	Element	Mulliken
1	C	0.281
2	N	-0.436
3	Br	0.155

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

using model chemistry: PBE1PBE/3-21G*

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>	78.540
(<r²>)^1/2	8.862