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	hartrees
Energy at 0K	-2667.110720
Energy at 298.15K
HF Energy	-2667.110720
Nuclear repulsion energy	125.236876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2329	2232	26.97
2	Σ	605	579	1.24
3	Π	370	355	1.72
3	Π	370	355	1.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.134
N2	0.000	0.000	-2.296
Br3	0.000	0.000	0.654

	C1	N2	Br3
C1		1.1621	1.7877
N2	1.1621		2.9499
Br3	1.7877	2.9499

Number	Element	Mulliken
1	C	-0.036
2	N	-0.122
3	Br	0.158

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

using model chemistry: mPW1PW91/cc-pVDZ

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>	78.432
(<r²>)^1/2	8.856