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	hartrees
Energy at 0K	-5187.732768
Energy at 298.15K
HF Energy	-5187.732768
Nuclear repulsion energy	351.363725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3137	3017	1.65
2	A₁	1431	1376	0.01
3	A₁	592	569	3.64
4	A₁	171	164	0.09
5	A₂	1117	1074	0.00
6	B₁	3223	3100	1.71
7	B₁	818	786	4.59
8	B₂	1215	1168	62.16
9	B₂	653	628	99.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.928
H2	-0.899	0.000	1.531
H3	0.899	0.000	1.531
Br4	0.000	1.619	-0.123
Br5	0.000	-1.619	-0.123

	C1	H2	H3	Br4	Br5
C1		1.0825	1.0825	1.9302	1.9302
H2	1.0825		1.7973	2.4832	2.4832
H3	1.0825	1.7973		2.4832	2.4832
Br4	1.9302	2.4832	2.4832		3.2376
Br5	1.9302	2.4832	2.4832	3.2376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.238	H2	C1	Br4	107.675
H2	C1	Br5	107.675	H3	C1	Br4	107.675
H3	C1	Br5	107.675	Br4	C1	Br5	114.002

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3PW91/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	-0.156
2	H	0.141
3	H	0.141
4	Br	-0.063
5	Br	-0.063

	x	y	z	Total
	0.000	0.000	1.518	1.518
CHELPG
AIM
ESP

<r²>	222.635
(<r²>)^1/2	14.921

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)