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	hartrees
Energy at 0K	-5186.653281
Energy at 298.15K
HF Energy	-5186.519303
Nuclear repulsion energy	348.816913

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	3019	3.07	99.94	0.07	0.14
2	A₁	1427	1367	0.20	11.58	0.73	0.84
3	A₁	583	558	4.47	13.78	0.09	0.17
4	A₁	172	165	0.07	5.56	0.48	0.65
5	A₂	1114	1067	0.00	7.32	0.75	0.86
6	B₁	3247	3110	0.84	58.74	0.75	0.86
7	B₁	814	780	4.92	2.43	0.75	0.86
8	B₂	1216	1165	70.64	0.35	0.75	0.86
9	B₂	649	622	97.47	6.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.935
H2	-0.907	0.000	1.546
H3	0.907	0.000	1.546
Br4	0.000	1.630	-0.124
Br5	0.000	-1.630	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0932	1.0932	1.9441	1.9441
H2	1.0932		1.8133	2.5037	2.5037
H3	1.0932	1.8133		2.5037	2.5037
Br4	1.9441	2.5037	2.5037		3.2607
Br5	1.9441	2.5037	2.5037	3.2607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.074	H2	C1	Br4	107.718
H2	C1	Br5	107.718	H3	C1	Br4	107.718
H3	C1	Br5	107.718	Br4	C1	Br5	113.984

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B2PLYP/cc-pVDZ

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	-0.156
2	H	0.122
3	H	0.122
4	Br	-0.044
5	Br	-0.044

	x	y	z	Total
	0.000	0.000	1.491	1.491
CHELPG
AIM
ESP

<r²>	225.397
(<r²>)^1/2	15.013

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)