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	hartrees
Energy at 0K	-5187.641250
Energy at 298.15K
HF Energy	-5187.641250
Nuclear repulsion energy	352.704655

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	3156	3156	0.34	84.91	0.05	0.09
2	A₁	1452	1452	0.04	9.35	0.51	0.67
3	A₁	608	608	4.07	18.54	0.06	0.12
4	A₁	177	177	0.10	3.34	0.35	0.52
5	A₂	1139	1139	0.00	1.11	0.75	0.86
6	B₁	3241	3241	4.80	40.61	0.75	0.86
7	B₁	829	829	3.33	0.38	0.75	0.86
8	B₂	1234	1234	61.97	0.25	0.75	0.86
9	B₂	690	690	91.06	5.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.931
H2	-0.897	0.000	1.534
H3	0.897	0.000	1.534
Br4	0.000	1.611	-0.124
Br5	0.000	-1.611	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0807	1.0807	1.9255	1.9255
H2	1.0807		1.7940	2.4794	2.4794
H3	1.0807	1.7940		2.4794	2.4794
Br4	1.9255	2.4794	2.4794		3.2215
Br5	1.9255	2.4794	2.4794	3.2215

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.199	H2	C1	Br4	107.795
H2	C1	Br5	107.795	H3	C1	Br4	107.795
H3	C1	Br5	107.795	Br4	C1	Br5	113.550

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: M06-2X/6-311+G(3df,2p)

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	-0.464
2	H	0.245
3	H	0.245
4	Br	-0.013
5	Br	-0.013

	x	y	z	Total
	0.000	0.000	1.526	1.526
CHELPG
AIM
ESP

<r²>	221.144
(<r²>)^1/2	14.871

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: M06-2X/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)