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	hartrees
Energy at 0K	-5183.871080
Energy at 298.15K
HF Energy	-5183.871080
Nuclear repulsion energy	352.791026

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	3296	2987	3.47	90.47	0.07	0.13
2	A₁	1569	1422	0.17	12.31	0.57	0.73
3	A₁	625	566	6.82	22.69	0.11	0.19
4	A₁	185	168	0.13	3.86	0.40	0.57
5	A₂	1227	1112	0.00	2.00	0.75	0.86
6	B₁	3383	3066	1.33	48.09	0.75	0.86
7	B₁	889	806	3.60	0.85	0.75	0.86
8	B₂	1342	1216	90.65	0.93	0.75	0.86
9	B₂	718	651	94.42	12.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.930
H2	-0.887	0.000	1.530
H3	0.887	0.000	1.530
Br4	0.000	1.611	-0.123
Br5	0.000	-1.611	-0.123

	C1	H2	H3	Br4	Br5
C1		1.0712	1.0712	1.9251	1.9251
H2	1.0712		1.7750	2.4733	2.4733
H3	1.0712	1.7750		2.4733	2.4733
Br4	1.9251	2.4733	2.4733		3.2225
Br5	1.9251	2.4733	2.4733	3.2225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.883	H2	C1	Br4	107.846
H2	C1	Br5	107.846	H3	C1	Br4	107.846
H3	C1	Br5	107.846	Br4	C1	Br5	113.648

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: HF/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	-0.096
2	H	0.137
3	H	0.137
4	Br	-0.089
5	Br	-0.089

	x	y	z	Total
	0.000	0.000	1.715	1.715
CHELPG
AIM
ESP

<r²>	221.270
(<r²>)^1/2	14.875

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)