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	hartrees
Energy at 0K	-5182.468269
Energy at 298.15K
HF Energy	-5182.468269
Nuclear repulsion energy	350.182213

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	3153	3023	2.78	92.85	0.08	0.15
2	A₁	1456	1396	0.66	12.73	0.74	0.85
3	A₁	579	555	5.49	13.88	0.09	0.16
4	A₁	172	165	0.11	4.95	0.44	0.61
5	A₂	1120	1073	0.00	7.12	0.75	0.86
6	B₁	3251	3117	0.51	58.03	0.75	0.86
7	B₁	806	773	4.50	2.53	0.75	0.86
8	B₂	1219	1169	75.38	1.43	0.75	0.86
9	B₂	623	597	111.54	4.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.945
H2	-0.905	0.000	1.543
H3	0.905	0.000	1.543
Br4	0.000	1.621	-0.125
Br5	0.000	-1.621	-0.125

	C1	H2	H3	Br4	Br5
C1		1.0846	1.0846	1.9424	1.9424
H2	1.0846		1.8094	2.4959	2.4959
H3	1.0846	1.8094		2.4959	2.4959
Br4	1.9424	2.4959	2.4959		3.2424
Br5	1.9424	2.4959	2.4959	3.2424

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.043	H2	C1	Br4	107.688
H2	C1	Br5	107.688	H3	C1	Br4	107.688
H3	C1	Br5	107.688	Br4	C1	Br5	113.155

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: TPSSh/6-31G**

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	-0.273
2	H	0.214
3	H	0.214
4	Br	-0.077
5	Br	-0.077

	x	y	z	Total
	0.000	0.000	1.582	1.582
CHELPG
AIM
ESP

<r²>	223.163
(<r²>)^1/2	14.939

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: TPSSh/6-31G**

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)