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	hartrees
Energy at 0K	-5182.701284
Energy at 298.15K
HF Energy	-5182.701284
Nuclear repulsion energy	351.955036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3154	3028	1.32
2	A₁	1446	1388	0.01
3	A₁	590	566	4.22
4	A₁	174	167	0.09
5	A₂	1143	1098	0.00
6	B₁	3248	3118	3.01
7	B₁	835	802	4.98
8	B₂	1241	1192	78.12
9	B₂	645	619	107.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.939
H2	-0.903	0.000	1.543
H3	0.903	0.000	1.543
Br4	0.000	1.613	-0.125
Br5	0.000	-1.613	-0.125

	C1	H2	H3	Br4	Br5
C1		1.0862	1.0862	1.9316	1.9316
H2	1.0862		1.8052	2.4891	2.4891
H3	1.0862	1.8052		2.4891	2.4891
Br4	1.9316	2.4891	2.4891		3.2253
Br5	1.9316	2.4891	2.4891	3.2253

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.401	H2	C1	Br4	107.829
H2	C1	Br5	107.829	H3	C1	Br4	107.829
H3	C1	Br5	107.829	Br4	C1	Br5	113.211

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3PW91/6-31+G**

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	-0.304
2	H	0.228
3	H	0.228
4	Br	-0.076
5	Br	-0.076

	x	y	z	Total
	0.000	0.000	1.609	1.609
CHELPG
AIM
ESP

<r²>	221.615
(<r²>)^1/2	14.887

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)