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	hartrees
Energy at 0K	-5187.606414
Energy at 298.15K
HF Energy	-5187.606414
Nuclear repulsion energy	347.155608

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	3140	3034	4.42	88.01	0.08	0.15
2	A₁	1452	1403	0.07	13.36	0.66	0.79
3	A₁	569	550	4.05	15.08	0.10	0.18
4	A₁	169	163	0.06	6.23	0.47	0.64
5	A₂	1133	1095	0.00	7.24	0.75	0.86
6	B₁	3227	3118	0.09	53.70	0.75	0.86
7	B₁	821	793	8.11	2.49	0.75	0.86
8	B₂	1241	1199	82.11	1.03	0.75	0.86
9	B₂	617	597	117.71	5.88	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.933
H2	-0.898	0.000	1.539
H3	0.898	0.000	1.539
Br4	0.000	1.641	-0.124
Br5	0.000	-1.641	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0829	1.0829	1.9520	1.9520
H2	1.0829		1.7958	2.5026	2.5026
H3	1.0829	1.7958		2.5026	2.5026
Br4	1.9520	2.5026	2.5026		3.2817
Br5	1.9520	2.5026	2.5026	3.2817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.028	H2	C1	Br4	107.624
H2	C1	Br5	107.624	H3	C1	Br4	107.624
H3	C1	Br5	107.624	Br4	C1	Br5	114.409

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3LYPultrafine/6-311G*

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	-0.604
2	H	0.294
3	H	0.294
4	Br	0.008
5	Br	0.008

	x	y	z	Total
	0.000	0.000	1.595	1.595
CHELPG
AIM
ESP

<r²>	227.989
(<r²>)^1/2	15.099

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)