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	hartrees
Energy at 0K	-2638.012829
Energy at 298.15K
HF Energy	-2638.012829
Nuclear repulsion energy	123.577969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2361	2085	1.42
2	Σ	602	532	4.09
3	Π	367	324	2.97
3	Π	367	324	2.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.137
N2	0.000	0.000	-2.335
Br3	0.000	0.000	0.662

	C1	N2	Br3
C1		1.1982	1.7990
N2	1.1982		2.9972
Br3	1.7990	2.9972

Number	Element	Mulliken
1	C	-0.041
2	N	-0.160
3	Br	0.201

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

using model chemistry: B1B95/STO-3G

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>	78.795
(<r²>)^1/2	8.877