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	hartrees
Energy at 0K	-5184.748208
Energy at 298.15K
HF Energy	-5183.964220
Nuclear repulsion energy	355.195205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3204	3047	1.57
2	A₁	1484	1412	0.00
3	A₁	614	584	2.89
4	A₁	179	170	0.09
5	A₂	1159	1102	0.00
6	B₁	3249	3090	2.27
7	B₁	841	800	3.34
8	B₂	1261	1199	60.01
9	B₂	712	677	63.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.926
H2	-0.891	0.000	1.530
H3	0.891	0.000	1.530
Br4	0.000	1.599	-0.123
Br5	0.000	-1.599	-0.123

	C1	H2	H3	Br4	Br5
C1		1.0763	1.0763	1.9122	1.9122
H2	1.0763		1.7817	2.4662	2.4662
H3	1.0763	1.7817		2.4662	2.4662
Br4	1.9122	2.4662	2.4662		3.1976
Br5	1.9122	2.4662	2.4662	3.1976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.728	H2	C1	Br4	107.929
H2	C1	Br5	107.929	H3	C1	Br4	107.929
H3	C1	Br5	107.929	Br4	C1	Br5	113.460

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

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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All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)