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	hartrees
Energy at 0K	-2664.463361
Energy at 298.15K
HF Energy	-2664.463361
Nuclear repulsion energy	125.534065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2318	2222	28.83
2	Σ	597	572	1.85
3	Π	408	391	2.05
3	Π	408	391	2.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.129
N2	0.000	0.000	-2.292
Br3	0.000	0.000	0.652

	C1	N2	Br3
C1		1.1637	1.7808
N2	1.1637		2.9445
Br3	1.7808	2.9445

Number	Element	Mulliken
1	C	0.338
2	N	-0.404
3	Br	0.066

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

using model chemistry: B3PW91/6-31G**

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>	78.135
(<r²>)^1/2	8.839