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	hartrees
Energy at 0K	-65.617848
Energy at 298.15K
HF Energy	-65.617848
Nuclear repulsion energy	41.719195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3168	3045	8.72
2	A₁	1436	1380	0.09
3	A₁	532	511	4.85
4	A₁	163	157	0.04
5	A₂	1119	1076	0.00
6	B₁	3276	3149	1.65
7	B₁	816	784	11.54
8	B₂	1240	1192	61.78
9	B₂	581	558	117.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.966
H2	-0.907	0.000	1.565
H3	0.907	0.000	1.565
Br4	0.000	1.688	-0.127
Br5	0.000	-1.688	-0.127

	C1	H2	H3	Br4	Br5
C1		1.0866	1.0866	2.0109	2.0109
H2	1.0866		1.8134	2.5561	2.5561
H3	1.0866	1.8134		2.5561	2.5561
Br4	2.0109	2.5561	2.5561		3.3755
Br5	2.0109	2.5561	2.5561	3.3755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.119	H2	C1	Br4	107.434
H2	C1	Br5	107.434	H3	C1	Br4	107.434
H3	C1	Br5	107.434	Br4	C1	Br5	114.129

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3LYP/LANL2DZ

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	-0.669
2	H	0.314
3	H	0.314
4	Br	0.020
5	Br	0.020

	x	y	z	Total
	0.000	0.000	1.872	1.872
CHELPG
AIM
ESP

<r²>	75.254
(<r²>)^1/2	8.675

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)