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	hartrees
Energy at 0K	-5181.849190
Energy at 298.15K
HF Energy	-5181.849190
Nuclear repulsion energy	348.757924

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	3077	3035	2.10	90.23	0.08	0.15
2	A₁	1396	1377	0.15	13.14	0.74	0.85
3	A₁	568	560	4.22	12.63	0.08	0.15
4	A₁	170	168	0.07	5.31	0.43	0.61
5	A₂	1081	1066	0.00	7.52	0.75	0.86
6	B₁	3172	3129	0.64	55.54	0.75	0.86
7	B₁	783	772	5.10	2.65	0.75	0.86
8	B₂	1174	1158	63.29	2.39	0.75	0.86
9	B₂	606	598	113.48	2.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.944
H2	-0.911	0.000	1.550
H3	0.911	0.000	1.550
Br4	0.000	1.629	-0.125
Br5	0.000	-1.629	-0.125

	C1	H2	H3	Br4	Br5
C1		1.0938	1.0938	1.9481	1.9481
H2	1.0938		1.8213	2.5074	2.5074
H3	1.0938	1.8213		2.5074	2.5074
Br4	1.9481	2.5074	2.5074		3.2571
Br5	1.9481	2.5074	2.5074	3.2571

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.719	H2	C1	Br4	107.698
H2	C1	Br5	107.698	H3	C1	Br4	107.698
H3	C1	Br5	107.698	Br4	C1	Br5	113.436

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: PBEPBEultrafine/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	-0.283
2	H	0.207
3	H	0.207
4	Br	-0.065
5	Br	-0.065

	x	y	z	Total
	0.000	0.000	1.494	1.494
CHELPG
AIM
ESP

<r²>	224.866
(<r²>)^1/2	14.996

All results from a given calculation for CH2Br2 (dibromomethane)

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

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)