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	hartrees
Energy at 0K	-5163.170111
Energy at 298.15K
HF Energy	-5163.170111
Nuclear repulsion energy	349.181735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3145	3025	3.35
2	A₁	1493	1436	0.00
3	A₁	586	563	4.06
4	A₁	167	160	0.06
5	A₂	1144	1100	0.00
6	B₁	3229	3106	0.05
7	B₁	823	791	7.54
8	B₂	1247	1199	55.36
9	B₂	636	612	91.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.955
H2	-0.902	0.000	1.559
H3	0.902	0.000	1.559
Br4	0.000	1.624	-0.126
Br5	0.000	-1.624	-0.126

	C1	H2	H3	Br4	Br5
C1		1.0859	1.0859	1.9509	1.9509
H2	1.0859		1.8038	2.5085	2.5085
H3	1.0859	1.8038		2.5085	2.5085
Br4	1.9509	2.5085	2.5085		3.2480
Br5	1.9509	2.5085	2.5085	3.2480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.311	H2	C1	Br4	107.975
H2	C1	Br5	107.975	H3	C1	Br4	107.975
H3	C1	Br5	107.975	Br4	C1	Br5	112.701

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3LYP/3-21G*

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	-0.494
2	H	0.271
3	H	0.271
4	Br	-0.024
5	Br	-0.024

	x	y	z	Total
	0.000	0.000	1.458	1.458
CHELPG
AIM
ESP

<r²>	223.779
(<r²>)^1/2	14.959

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3LYP/3-21G*

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)