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	hartrees
Energy at 0K	-5161.669425
Energy at 298.15K
HF Energy	-5161.612500
Nuclear repulsion energy	340.987647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3197	3197	3.53	95.12	0.09	0.17
2	A₁	1504	1504	0.02	20.49	0.73	0.84
3	A₁	551	551	4.51	14.93	0.15	0.26
4	A₁	166	166	0.07	7.99	0.55	0.71
5	A₂	1153	1153	0.00	19.18	0.75	0.86
6	B₁	3284	3284	0.02	60.56	0.75	0.86
7	B₁	814	814	8.77	5.76	0.75	0.86
8	B₂	1261	1261	65.98	1.58	0.75	0.86
9	B₂	647	647	89.47	9.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.953
H2	-0.899	0.000	1.556
H3	0.899	0.000	1.556
Br4	0.000	1.672	-0.126
Br5	0.000	-1.672	-0.126

	C1	H2	H3	Br4	Br5
C1		1.0821	1.0821	1.9896	1.9896
H2	1.0821		1.7974	2.5359	2.5359
H3	1.0821	1.7974		2.5359	2.5359
Br4	1.9896	2.5359	2.5359		3.3431
Br5	1.9896	2.5359	2.5359	3.3431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.297	H2	C1	Br4	107.585
H2	C1	Br5	107.585	H3	C1	Br4	107.585
H3	C1	Br5	107.585	Br4	C1	Br5	114.308

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B2PLYP/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	-0.792
2	H	0.292
3	H	0.292
4	Br	0.104
5	Br	0.104

	x	y	z	Total
	0.000	0.000	1.560	1.560
CHELPG
AIM
ESP

<r²>	235.276
(<r²>)^1/2	15.339

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B2PLYP/3-21G

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)