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	hartrees
Energy at 0K	-5131.000745
Energy at 298.15K
HF Energy	-5131.000745
Nuclear repulsion energy	349.011245

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	3356	3356	0.26	41.24	0.13	0.22
2	A₁	1641	1641	0.00	15.90	0.73	0.84
3	A₁	677	677	6.75	9.15	0.14	0.24
4	A₁	192	192	0.57	3.63	0.58	0.73
5	A₂	1270	1270	0.00	13.90	0.75	0.86
6	B₁	3475	3475	0.10	32.76	0.75	0.86
7	B₁	889	889	0.17	2.13	0.75	0.86
8	B₂	1378	1378	54.24	2.57	0.75	0.86
9	B₂	838	838	51.25	6.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.904
H2	-0.893	0.000	1.553
H3	0.893	0.000	1.553
Br4	0.000	1.635	-0.122
Br5	0.000	-1.635	-0.122

	C1	H2	H3	Br4	Br5
C1		1.1037	1.1037	1.9301	1.9301
H2	1.1037		1.7856	2.5049	2.5049
H3	1.1037	1.7856		2.5049	2.5049
Br4	1.9301	2.5049	2.5049		3.2701
Br5	1.9301	2.5049	2.5049	3.2701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	107.986	H2	C1	Br4	108.203
H2	C1	Br5	108.203	H3	C1	Br4	108.203
H3	C1	Br5	108.203	Br4	C1	Br5	115.802

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: wB97X-D/STO-3G

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	-0.249
2	H	0.111
3	H	0.111
4	Br	0.013
5	Br	0.013

	x	y	z	Total
	0.000	0.000	1.362	1.362
CHELPG
AIM
ESP

<r²>	224.034
(<r²>)^1/2	14.968

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: wB97X-D/STO-3G

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)