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	hartrees
Energy at 0K	-5183.021104
Energy at 298.15K
HF Energy	-5183.021104
Nuclear repulsion energy	352.449602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3175	3021	1.97
2	A₁	1453	1383	0.06
3	A₁	598	569	4.87
4	A₁	179	170	0.09
5	A₂	1135	1080	0.00
6	B₁	3272	3114	1.29
7	B₁	815	776	5.06
8	B₂	1232	1172	66.74
9	B₂	657	625	97.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.937
H2	-0.901	0.000	1.540
H3	0.901	0.000	1.540
Br4	0.000	1.611	-0.124
Br5	0.000	-1.611	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0842	1.0842	1.9287	1.9287
H2	1.0842		1.8019	2.4850	2.4850
H3	1.0842	1.8019		2.4850	2.4850
Br4	1.9287	2.4850	2.4850		3.2211
Br5	1.9287	2.4850	2.4850	3.2211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.399	H2	C1	Br4	107.821
H2	C1	Br5	107.821	H3	C1	Br4	107.821
H3	C1	Br5	107.821	Br4	C1	Br5	113.246

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: mPW1PW91/6-31G**

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	-0.297
2	H	0.221
3	H	0.221
4	Br	-0.073
5	Br	-0.073

	x	y	z	Total
	0.000	0.000	1.563	1.563
CHELPG
AIM
ESP

<r²>	220.584
(<r²>)^1/2	14.852

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)