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	hartrees
Energy at 0K	-873.162241
Energy at 298.15K
HF Energy	-873.162241
Nuclear repulsion energy	210.192625

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	3133	3133	1.80	91.66	0.06	0.11
2	A₁	1434	1434	0.07	10.47	0.63	0.77
3	A₁	571	571	3.46	15.82	0.07	0.13
4	A₁	166	166	0.06	4.81	0.40	0.57
5	A₂	1106	1106	0.00	2.93	0.75	0.86
6	B₁	3220	3220	1.37	46.25	0.75	0.86
7	B₁	813	813	4.52	1.32	0.75	0.86
8	B₂	1212	1212	68.77	0.01	0.75	0.86
9	B₂	623	623	103.88	5.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.936
H2	-0.899	0.000	1.535
H3	0.899	0.000	1.535
Br4	0.000	1.633	-0.124
Br5	0.000	-1.633	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0805	1.0805	1.9468	1.9468
H2	1.0805		1.7978	2.4957	2.4957
H3	1.0805	1.7978		2.4957	2.4957
Br4	1.9468	2.4957	2.4957		3.2658
Br5	1.9468	2.4957	2.4957	3.2658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.599	H2	C1	Br4	107.584
H2	C1	Br5	107.584	H3	C1	Br4	107.584
H3	C1	Br5	107.584	Br4	C1	Br5	114.023

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3LYPultrafine/cc-pVTZ-PP

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	-0.221
2	H	0.151
3	H	0.151
4	Br	-0.040
5	Br	-0.040

	x	y	z	Total
	0.000	0.000	1.441	1.441
CHELPG
AIM
ESP

<r²>	172.083
(<r²>)^1/2	13.118

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3LYPultrafine/cc-pVTZ-PP

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)