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	hartrees
Energy at 0K	-5182.739405
Energy at 298.15K
HF Energy	-5182.739405
Nuclear repulsion energy	344.560624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3069	3053	1.53
2	A₁	1404	1396	0.33
3	A₁	539	536	3.88
4	A₁	159	158	0.06
5	A₂	1087	1082	0.00
6	B₁	3164	3147	1.92
7	B₁	803	798	5.11
8	B₂	1191	1185	85.81
9	B₂	557	554	134.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.955
H2	-0.912	0.000	1.556
H3	0.912	0.000	1.556
Br4	0.000	1.650	-0.126
Br5	0.000	-1.650	-0.126

	C1	H2	H3	Br4	Br5
C1		1.0920	1.0920	1.9726	1.9726
H2	1.0920		1.8238	2.5264	2.5264
H3	1.0920	1.8238		2.5264	2.5264
Br4	1.9726	2.5264	2.5264		3.2996
Br5	1.9726	2.5264	2.5264	3.2996

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.259	H2	C1	Br4	107.550
H2	C1	Br5	107.550	H3	C1	Br4	107.550
H3	C1	Br5	107.550	Br4	C1	Br5	113.513

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: BLYP/6-31+G**

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	-0.300
2	H	0.208
3	H	0.208
4	Br	-0.058
5	Br	-0.058

	x	y	z	Total
	0.000	0.000	1.563	1.563
CHELPG
AIM
ESP

<r²>	230.831
(<r²>)^1/2	15.193

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)