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	hartrees
Energy at 0K	-5187.589416
Energy at 298.15K
HF Energy	-5187.589416
Nuclear repulsion energy	342.461098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3061	3049	3.16
2	A₁	1391	1385	0.16
3	A₁	535	533	3.69
4	A₁	158	158	0.04
5	A₂	1072	1068	0.00
6	B₁	3149	3137	0.17
7	B₁	785	782	7.02
8	B₂	1179	1174	75.23
9	B₂	549	547	137.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.940
H2	-0.908	0.000	1.542
H3	0.908	0.000	1.542
Br4	0.000	1.666	-0.125
Br5	0.000	-1.666	-0.125

	C1	H2	H3	Br4	Br5
C1		1.0889	1.0889	1.9771	1.9771
H2	1.0889		1.8160	2.5249	2.5249
H3	1.0889	1.8160		2.5249	2.5249
Br4	1.9771	2.5249	2.5249		3.3314
Br5	1.9771	2.5249	2.5249	3.3314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.990	H2	C1	Br4	107.300
H2	C1	Br5	107.300	H3	C1	Br4	107.300
H3	C1	Br5	107.300	Br4	C1	Br5	114.807

All results from a given calculation for CH₂Br₂ (dibromomethane)

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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Number	Element	Mulliken
1	C	-0.377
2	H	0.200
3	H	0.200
4	Br	-0.012
5	Br	-0.012

	x	y	z	Total
	0.000	0.000	1.539	1.539
CHELPG
AIM
ESP

<r²>	233.960
(<r²>)^1/2	15.296

All results from a given calculation for CH2Br2 (dibromomethane)

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

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)