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	hartrees
Energy at 0K	-5187.632751
Energy at 298.15K
HF Energy	-5187.632751
Nuclear repulsion energy	349.887848

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	3145	3032	1.95	98.06	0.07	0.13
2	A₁	1433	1382	0.04	17.00	0.64	0.78
3	A₁	583	562	4.54	12.67	0.11	0.20
4	A₁	170	164	0.08	5.79	0.49	0.66
5	A₂	1119	1079	0.00	4.86	0.75	0.86
6	B₁	3234	3118	1.67	54.34	0.75	0.86
7	B₁	815	786	5.62	2.47	0.75	0.86
8	B₂	1226	1182	79.88	1.66	0.75	0.86
9	B₂	643	620	110.89	6.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.928
H2	-0.899	0.000	1.532
H3	0.899	0.000	1.532
Br4	0.000	1.627	-0.123
Br5	0.000	-1.627	-0.123

	C1	H2	H3	Br4	Br5
C1		1.0833	1.0833	1.9369	1.9369
H2	1.0833		1.7978	2.4892	2.4892
H3	1.0833	1.7978		2.4892	2.4892
Br4	1.9369	2.4892	2.4892		3.2539
Br5	1.9369	2.4892	2.4892	3.2539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.158	H2	C1	Br4	107.628
H2	C1	Br5	107.628	H3	C1	Br4	107.628
H3	C1	Br5	107.628	Br4	C1	Br5	114.270

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3PW91/TZVP

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	-0.197
2	H	0.180
3	H	0.180
4	Br	-0.081
5	Br	-0.081

	x	y	z	Total
	0.000	0.000	1.602	1.602
CHELPG
AIM
ESP

<r²>	224.524
(<r²>)^1/2	14.984

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3PW91/TZVP

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)