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	hartrees
Energy at 0K	-5187.600968
Energy at 298.15K
HF Energy	-5187.600968
Nuclear repulsion energy	343.985675

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	3058	3041	0.90	87.12	0.05	0.10
2	A₁	1392	1385	0.03	12.11	0.47	0.64
3	A₁	540	537	3.24	19.47	0.06	0.12
4	A₁	159	158	0.05	4.91	0.34	0.51
5	A₂	1071	1065	0.00	0.86	0.75	0.86
6	B₁	3146	3129	2.37	44.49	0.75	0.86
7	B₁	787	783	3.73	0.40	0.75	0.86
8	B₂	1171	1165	62.62	0.15	0.75	0.86
9	B₂	565	562	123.69	3.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.943
H2	-0.907	0.000	1.541
H3	0.907	0.000	1.541
Br4	0.000	1.657	-0.125
Br5	0.000	-1.657	-0.125

	C1	H2	H3	Br4	Br5
C1		1.0861	1.0861	1.9710	1.9710
H2	1.0861		1.8137	2.5182	2.5182
H3	1.0861	1.8137		2.5182	2.5182
Br4	1.9710	2.5182	2.5182		3.3130
Br5	1.9710	2.5182	2.5182	3.3130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.222	H2	C1	Br4	107.351
H2	C1	Br5	107.351	H3	C1	Br4	107.351
H3	C1	Br5	107.351	Br4	C1	Br5	114.372

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: BLYP/6-311+G(3df,2p)

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	-0.392
2	H	0.215
3	H	0.215
4	Br	-0.019
5	Br	-0.019

	x	y	z	Total
	0.000	0.000	1.450	1.450
CHELPG
AIM
ESP

<r²>	232.038
(<r²>)^1/2	15.233

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: BLYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)