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	hartrees
Energy at 0K	-5161.802070
Energy at 298.15K
HF Energy	-5161.802070
Nuclear repulsion energy	340.668744

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	3091	3063	3.53	99.82	0.08	0.15
2	A₁	1434	1421	0.33	19.10	0.74	0.85
3	A₁	548	543	4.18	12.74	0.16	0.27
4	A₁	163	161	0.06	9.06	0.54	0.70
5	A₂	1109	1099	0.00	18.28	0.75	0.86
6	B₁	3180	3151	0.12	60.61	0.75	0.86
7	B₁	788	781	10.75	5.95	0.75	0.86
8	B₂	1207	1196	52.72	4.15	0.75	0.86
9	B₂	625	619	125.55	3.87	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.947
H2	-0.909	0.000	1.555
H3	0.909	0.000	1.555
Br4	0.000	1.674	-0.126
Br5	0.000	-1.674	-0.126

	C1	H2	H3	Br4	Br5
C1		1.0940	1.0940	1.9880	1.9880
H2	1.0940		1.8185	2.5403	2.5403
H3	1.0940	1.8185		2.5403	2.5403
Br4	1.9880	2.5403	2.5403		3.3482
Br5	1.9880	2.5403	2.5403	3.3482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.429	H2	C1	Br4	107.452
H2	C1	Br5	107.452	H3	C1	Br4	107.452
H3	C1	Br5	107.452	Br4	C1	Br5	114.727

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: PBEPBEultrafine/3-21G

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	-0.853
2	H	0.311
3	H	0.311
4	Br	0.116
5	Br	0.116

	x	y	z	Total
	0.000	0.000	1.533	1.533
CHELPG
AIM
ESP

<r²>	235.612
(<r²>)^1/2	15.350

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: PBEPBEultrafine/3-21G

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)