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	hartrees
Energy at 0K	-5187.680163
Energy at 298.15K
HF Energy	-5187.680163
Nuclear repulsion energy	347.230309

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	3142	3027	2.13	98.02	0.07	0.13
2	A₁	1438	1386	0.18	17.50	0.62	0.77
3	A₁	566	545	4.65	13.94	0.12	0.21
4	A₁	167	161	0.07	6.23	0.48	0.65
5	A₂	1114	1073	0.00	4.76	0.75	0.86
6	B₁	3231	3113	1.36	55.13	0.75	0.86
7	B₁	814	784	5.64	2.57	0.75	0.86
8	B₂	1226	1181	85.30	1.15	0.75	0.86
9	B₂	615	593	116.39	7.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.935
H2	-0.899	0.000	1.536
H3	0.899	0.000	1.536
Br4	0.000	1.640	-0.124
Br5	0.000	-1.640	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0815	1.0815	1.9523	1.9523
H2	1.0815		1.7980	2.5007	2.5007
H3	1.0815	1.7980		2.5007	2.5007
Br4	1.9523	2.5007	2.5007		3.2807
Br5	1.9523	2.5007	2.5007	3.2807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.463	H2	C1	Br4	107.542
H2	C1	Br5	107.542	H3	C1	Br4	107.542
H3	C1	Br5	107.542	Br4	C1	Br5	114.325

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3LYPultrafine/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	-0.189
2	H	0.173
3	H	0.173
4	Br	-0.078
5	Br	-0.078

	x	y	z	Total
	0.000	0.000	1.601	1.601
CHELPG
AIM
ESP

<r²>	227.921
(<r²>)^1/2	15.097

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3LYPultrafine/TZVP

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)