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	hartrees
Energy at 0K	-5187.654100
Energy at 298.15K
HF Energy	-5187.654100
Nuclear repulsion energy	342.449737

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	3068	3060	2.25	100.71	0.07	0.13
2	A₁	1393	1389	0.39	18.06	0.62	0.77
3	A₁	533	532	4.15	14.17	0.12	0.21
4	A₁	158	158	0.05	7.57	0.47	0.64
5	A₂	1068	1066	0.00	4.64	0.75	0.86
6	B₁	3158	3150	0.81	55.90	0.75	0.86
7	B₁	785	783	5.79	2.87	0.75	0.86
8	B₂	1179	1176	81.59	1.61	0.75	0.86
9	B₂	555	553	136.45	6.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.943
H2	-0.908	0.000	1.542
H3	0.908	0.000	1.542
Br4	0.000	1.665	-0.125
Br5	0.000	-1.665	-0.125

	C1	H2	H3	Br4	Br5
C1		1.0874	1.0874	1.9784	1.9784
H2	1.0874		1.8154	2.5251	2.5251
H3	1.0874	1.8154		2.5251	2.5251
Br4	1.9784	2.5251	2.5251		3.3304
Br5	1.9784	2.5251	2.5251	3.3304

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.175	H2	C1	Br4	107.298
H2	C1	Br5	107.298	H3	C1	Br4	107.298
H3	C1	Br5	107.298	Br4	C1	Br5	114.636

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: BLYP/TZVP

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	-0.207
2	H	0.175
3	H	0.175
4	Br	-0.072
5	Br	-0.072

	x	y	z	Total
	0.000	0.000	1.556	1.556
CHELPG
AIM
ESP

<r²>	233.978
(<r²>)^1/2	15.296

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: BLYP/TZVP

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)