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	hartrees
Energy at 0K	-5183.963417
Energy at 298.15K
HF Energy	-5183.963417
Nuclear repulsion energy	352.593533

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	3294	2997	3.82	89.62	0.07	0.13
2	A₁	1569	1428	0.22	11.44	0.57	0.73
3	A₁	625	569	6.73	23.29	0.09	0.17
4	A₁	185	169	0.13	4.08	0.41	0.58
5	A₂	1227	1117	0.00	2.76	0.75	0.86
6	B₁	3380	3076	1.07	47.87	0.75	0.86
7	B₁	891	811	3.55	1.05	0.75	0.86
8	B₂	1343	1222	93.46	0.68	0.75	0.86
9	B₂	718	654	96.37	11.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.930
H2	-0.888	0.000	1.530
H3	0.888	0.000	1.530
Br4	0.000	1.612	-0.123
Br5	0.000	-1.612	-0.123

	C1	H2	H3	Br4	Br5
C1		1.0712	1.0712	1.9261	1.9261
H2	1.0712		1.7752	2.4741	2.4741
H3	1.0712	1.7752		2.4741	2.4741
Br4	1.9261	2.4741	2.4741		3.2246
Br5	1.9261	2.4741	2.4741	3.2246

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.911	H2	C1	Br4	107.835
H2	C1	Br5	107.835	H3	C1	Br4	107.835
H3	C1	Br5	107.835	Br4	C1	Br5	113.665

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: HF/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	-0.088
2	H	0.146
3	H	0.146
4	Br	-0.102
5	Br	-0.102

	x	y	z	Total
	0.000	0.000	1.718	1.718
CHELPG
AIM
ESP

<r²>	221.499
(<r²>)^1/2	14.883

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: HF/cc-pVTZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)