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	hartrees
Energy at 0K	-5187.755427
Energy at 298.15K
HF Energy	-5187.755427
Nuclear repulsion energy	343.896776

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	3064	3064	1.10	96.86	0.05	0.09
2	A₁	1389	1389	0.10	11.90	0.47	0.64
3	A₁	539	539	3.27	20.15	0.06	0.12
4	A₁	159	159	0.05	4.86	0.31	0.48
5	A₂	1069	1069	0.00	0.71	0.75	0.86
6	B₁	3148	3148	2.13	45.32	0.75	0.86
7	B₁	787	787	3.57	0.34	0.75	0.86
8	B₂	1169	1169	63.66	0.24	0.75	0.86
9	B₂	563	563	123.35	3.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.943
H2	-0.907	0.000	1.541
H3	0.907	0.000	1.541
Br4	0.000	1.657	-0.125
Br5	0.000	-1.657	-0.125

	C1	H2	H3	Br4	Br5
C1		1.0859	1.0859	1.9715	1.9715
H2	1.0859		1.8131	2.5185	2.5185
H3	1.0859	1.8131		2.5185	2.5185
Br4	1.9715	2.5185	2.5185		3.3140
Br5	1.9715	2.5185	2.5185	3.3140

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.204	H2	C1	Br4	107.352
H2	C1	Br5	107.352	H3	C1	Br4	107.352
H3	C1	Br5	107.352	Br4	C1	Br5	114.385

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: BLYP/daug-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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Number	Element	Mulliken
1	C	-0.016
2	H	0.356
3	H	0.356
4	Br	-0.348
5	Br	-0.348

	x	y	z	Total
	0.000	0.000	1.440	1.440
CHELPG
AIM
ESP

<r²>	232.167
(<r²>)^1/2	15.237

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: BLYP/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)