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	hartrees
Energy at 0K	-5187.646320
Energy at 298.15K
HF Energy	-5187.646320
Nuclear repulsion energy	350.910987

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	3152	3152	5.00	87.17	0.08	0.15
2	A₁	1467	1467	0.00	12.98	0.66	0.80
3	A₁	599	599	4.05	14.55	0.10	0.17
4	A₁	176	176	0.07	5.21	0.49	0.66
5	A₂	1157	1157	0.00	7.68	0.75	0.86
6	B₁	3237	3237	0.12	53.47	0.75	0.86
7	B₁	832	832	8.06	2.36	0.75	0.86
8	B₂	1265	1265	78.33	0.95	0.75	0.86
9	B₂	678	678	95.17	6.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.927
H2	-0.895	0.000	1.538
H3	0.895	0.000	1.538
Br4	0.000	1.621	-0.123
Br5	0.000	-1.621	-0.123

	C1	H2	H3	Br4	Br5
C1		1.0839	1.0839	1.9318	1.9318
H2	1.0839		1.7910	2.4879	2.4879
H3	1.0839	1.7910		2.4879	2.4879
Br4	1.9318	2.4879	2.4879		3.2424
Br5	1.9318	2.4879	2.4879	3.2424

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.408	H2	C1	Br4	107.842
H2	C1	Br5	107.842	H3	C1	Br4	107.842
H3	C1	Br5	107.842	Br4	C1	Br5	114.119

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: wB97X-D/6-311G*

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	-0.630
2	H	0.303
3	H	0.303
4	Br	0.012
5	Br	0.012

	x	y	z	Total
	0.000	0.000	1.596	1.596
CHELPG
AIM
ESP

<r²>	223.253
(<r²>)^1/2	14.942

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: wB97X-D/6-311G*

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)