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	hartrees
Energy at 0K	-5187.781978
Energy at 298.15K
HF Energy	-5187.781978
Nuclear repulsion energy	348.581575

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	1.02	94.35	0.05	0.09
2	A₁	1435	1435	0.01	10.95	0.49	0.65
3	A₁	572	572	3.61	19.57	0.07	0.12
4	A₁	168	168	0.07	3.95	0.32	0.48
5	A₂	1113	1113	0.00	0.81	0.75	0.86
6	B₁	3220	3220	2.74	43.81	0.75	0.86
7	B₁	816	816	3.60	0.31	0.75	0.86
8	B₂	1215	1215	65.14	0.41	0.75	0.86
9	B₂	623	623	104.91	4.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.935
H2	-0.898	0.000	1.535
H3	0.898	0.000	1.535
Br4	0.000	1.633	-0.124
Br5	0.000	-1.633	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0802	1.0802	1.9460	1.9460
H2	1.0802		1.7963	2.4949	2.4949
H3	1.0802	1.7963		2.4949	2.4949
Br4	1.9460	2.4949	2.4949		3.2656
Br5	1.9460	2.4949	2.4949	3.2656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.498	H2	C1	Br4	107.593
H2	C1	Br5	107.593	H3	C1	Br4	107.593
H3	C1	Br5	107.593	Br4	C1	Br5	114.083

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3LYP/daug-cc-pVTZ

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	-0.214
2	H	0.359
3	H	0.359
4	Br	-0.252
5	Br	-0.252

	x	y	z	Total
	0.000	0.000	1.481	1.481
CHELPG
AIM
ESP

<r²>	226.255
(<r²>)^1/2	15.042

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3LYP/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)