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	hartrees
Energy at 0K	-5261.644678
Energy at 298.15K	-5261.650405
HF Energy	-5261.644678
Nuclear repulsion energy	436.074358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1831	1824	326.83
2	A₁	382	381	6.89
3	A₁	163	163	0.43
4	B₁	485	483	1.81
5	B₂	658	656	482.30
6	B₂	311	310	18.02

Atom	y (Å)	z (Å)
C1	0.000	0.806
O2	0.000	1.985
Br3	1.646	-0.296
Br4	-1.646	-0.296

	C1	O2	Br3	Br4
C1		1.1796	1.9803	1.9803
O2	1.1796		2.8127	2.8127
Br3	1.9803	2.8127		3.2914
Br4	1.9803	2.8127	3.2914

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Br3	123.794		O2	C1	Br4	123.794
Br3	C1	Br4	112.411

All results from a given calculation for COBr₂ (Carbonic dibromide)

using model chemistry: BLYP/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	0.043
2	O	-0.139
3	Br	0.048
4	Br	0.048

	x	y	z	Total
	0.000	0.000	-0.956	0.956
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for COBr2 (Carbonic dibromide)

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

States and conformations

All results from a given calculation for COBr₂ (Carbonic dibromide)