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	hartrees
Energy at 0K	-5187.688620
Energy at 298.15K
HF Energy	-5187.688620
Nuclear repulsion energy	348.778622

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	3136	3136	1.70	95.33	0.06	0.10
2	A₁	1437	1437	0.03	12.01	0.62	0.76
3	A₁	573	573	3.92	15.22	0.09	0.16
4	A₁	168	168	0.08	4.64	0.41	0.58
5	A₂	1114	1114	0.00	2.03	0.75	0.86
6	B₁	3223	3223	1.63	47.77	0.75	0.86
7	B₁	814	814	4.34	1.06	0.75	0.86
8	B₂	1217	1217	66.10	0.00	0.75	0.86
9	B₂	625	625	103.57	5.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.933
H2	-0.898	0.000	1.534
H3	0.898	0.000	1.534
Br4	0.000	1.632	-0.124
Br5	0.000	-1.632	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0807	1.0807	1.9445	1.9445
H2	1.0807		1.7961	2.4940	2.4940
H3	1.0807	1.7961		2.4940	2.4940
Br4	1.9445	2.4940	2.4940		3.2640
Br5	1.9445	2.4940	2.4940	3.2640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.405	H2	C1	Br4	107.604
H2	C1	Br5	107.604	H3	C1	Br4	107.604
H3	C1	Br5	107.604	Br4	C1	Br5	114.130

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3LYPultrafine/Def2TZVPP

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	-0.219
2	H	0.182
3	H	0.182
4	Br	-0.072
5	Br	-0.072

	x	y	z	Total
	0.000	0.000	1.511	1.511
CHELPG
AIM
ESP

<r²>	225.939
(<r²>)^1/2	15.031

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3LYPultrafine/Def2TZVPP

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)