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	hartrees
Energy at 0K	-5187.828686
Energy at 298.15K
HF Energy	-5187.828686
Nuclear repulsion energy	352.129494

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	3151	3012	1.88	92.24	0.06	0.11
2	A₁	1451	1388	0.02	10.80	0.62	0.77
3	A₁	602	575	3.74	15.12	0.07	0.14
4	A₁	175	167	0.10	4.05	0.43	0.60
5	A₂	1135	1085	0.00	3.09	0.75	0.86
6	B₁	3235	3093	1.53	46.38	0.75	0.86
7	B₁	826	790	4.53	1.13	0.75	0.86
8	B₂	1238	1183	64.48	0.01	0.75	0.86
9	B₂	684	654	85.23	5.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.929
H2	-0.895	0.000	1.535
H3	0.895	0.000	1.535
Br4	0.000	1.614	-0.123
Br5	0.000	-1.614	-0.123

	C1	H2	H3	Br4	Br5
C1		1.0814	1.0814	1.9271	1.9271
H2	1.0814		1.7909	2.4818	2.4818
H3	1.0814	1.7909		2.4818	2.4818
Br4	1.9271	2.4818	2.4818		3.2286
Br5	1.9271	2.4818	2.4818	3.2286

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.799	H2	C1	Br4	107.829
H2	C1	Br5	107.829	H3	C1	Br4	107.829
H3	C1	Br5	107.829	Br4	C1	Br5	113.797

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: wB97X-D/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	-0.133
2	H	0.133
3	H	0.133
4	Br	-0.067
5	Br	-0.067

	x	y	z	Total
	0.000	0.000	1.530	1.530
CHELPG
AIM
ESP

<r²>	221.681
(<r²>)^1/2	14.889

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)