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	hartrees
Energy at 0K	-5261.748548
Energy at 298.15K	-5261.754474
HF Energy	-5261.748548
Nuclear repulsion energy	447.872532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1897	1824	351.20
2	A₁	436	419	6.22
3	A₁	180	173	0.34
4	B₁	526	506	2.27
5	B₂	752	723	484.57
6	B₂	352	338	3.34

Atom	y (Å)	z (Å)
C1	0.000	0.779
O2	0.000	1.949
Br3	1.598	-0.290
Br4	-1.598	-0.290

	C1	O2	Br3	Br4
C1		1.1700	1.9225	1.9225
O2	1.1700		2.7505	2.7505
Br3	1.9225	2.7505		3.1962
Br4	1.9225	2.7505	3.1962

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Br3	123.769		O2	C1	Br4	123.769
Br3	C1	Br4	112.462

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

using model chemistry: B3PW91/cc-pVTZ

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.000	0.000	-1.140	1.140
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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