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	hartrees
Energy at 0K	-5181.357401
Energy at 298.15K
HF Energy	-5181.300232
Nuclear repulsion energy	343.255921

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	3202	3202	3.15	104.06	0.09	0.16
2	A₁	1487	1487	0.05	18.99	0.73	0.84
3	A₁	543	543	5.77	17.29	0.14	0.25
4	A₁	165	165	0.11	8.24	0.55	0.71
5	A₂	1135	1135	0.00	19.51	0.75	0.86
6	B₁	3304	3304	0.02	62.94	0.75	0.86
7	B₁	825	825	7.87	6.57	0.75	0.86
8	B₂	1254	1254	64.26	1.97	0.75	0.86
9	B₂	598	598	98.39	9.84	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.975
H2	-0.904	0.000	1.571
H3	0.904	0.000	1.571
Br4	0.000	1.653	-0.128
Br5	0.000	-1.653	-0.128

	C1	H2	H3	Br4	Br5
C1		1.0829	1.0829	1.9876	1.9876
H2	1.0829		1.8086	2.5374	2.5374
H3	1.0829	1.8086		2.5374	2.5374
Br4	1.9876	2.5374	2.5374		3.3059
Br5	1.9876	2.5374	2.5374	3.3059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.251	H2	C1	Br4	107.788
H2	C1	Br5	107.788	H3	C1	Br4	107.788
H3	C1	Br5	107.788	Br4	C1	Br5	112.533

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B2PLYP/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	-0.660
2	H	0.255
3	H	0.255
4	Br	0.075
5	Br	0.075

	x	y	z	Total
	0.000	0.000	1.803	1.803
CHELPG
AIM
ESP

<r²>	231.693
(<r²>)^1/2	15.221

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)