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	hartrees
Energy at 0K	-5162.689918
Energy at 298.15K
HF Energy	-5162.689918
Nuclear repulsion energy	340.990429

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	3171	3060	3.59	98.82	0.09	0.16
2	A₁	1482	1430	0.08	19.85	0.74	0.85
3	A₁	552	533	4.76	14.67	0.15	0.26
4	A₁	165	159	0.06	8.30	0.54	0.71
5	A₂	1140	1100	0.00	18.63	0.75	0.86
6	B₁	3259	3145	0.06	61.06	0.75	0.86
7	B₁	807	779	9.47	5.84	0.75	0.86
8	B₂	1246	1202	64.00	2.13	0.75	0.86
9	B₂	635	612	108.29	7.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.949
H2	-0.901	0.000	1.552
H3	0.901	0.000	1.552
Br4	0.000	1.672	-0.126
Br5	0.000	-1.672	-0.126

	C1	H2	H3	Br4	Br5
C1		1.0839	1.0839	1.9881	1.9881
H2	1.0839		1.8014	2.5344	2.5344
H3	1.0839	1.8014		2.5344	2.5344
Br4	1.9881	2.5344	2.5344		3.3447
Br5	1.9881	2.5344	2.5344	3.3447

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.406	H2	C1	Br4	107.505
H2	C1	Br5	107.505	H3	C1	Br4	107.505
H3	C1	Br5	107.505	Br4	C1	Br5	114.533

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3LYPultrafine/3-21G

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	-0.809
2	H	0.297
3	H	0.297
4	Br	0.107
5	Br	0.107

	x	y	z	Total
	0.000	0.000	1.570	1.570
CHELPG
AIM
ESP

<r²>	235.214
(<r²>)^1/2	15.337

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3LYPultrafine/3-21G

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)