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	hartrees
Energy at 0K	-5190.239958
Energy at 298.15K
HF Energy	-5190.239958
Nuclear repulsion energy	345.584976

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	3088	3044	3.20	101.57	0.07	0.13
2	A₁	1403	1383	0.40	17.56	0.63	0.78
3	A₁	545	537	4.69	13.62	0.11	0.21
4	A₁	163	161	0.06	7.09	0.47	0.64
5	A₂	1086	1071	0.00	4.61	0.75	0.86
6	B₁	3182	3136	0.43	56.07	0.75	0.86
7	B₁	797	786	5.50	2.76	0.75	0.86
8	B₂	1194	1177	82.62	1.87	0.75	0.86
9	B₂	570	562	138.12	5.96	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.936
H2	-0.905	0.000	1.536
H3	0.905	0.000	1.536
Br4	0.000	1.649	-0.124
Br5	0.000	-1.649	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0861	1.0861	1.9605	1.9605
H2	1.0861		1.8104	2.5092	2.5092
H3	1.0861	1.8104		2.5092	2.5092
Br4	1.9605	2.5092	2.5092		3.2980
Br5	1.9605	2.5092	2.5092	3.2980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.908	H2	C1	Br4	107.392
H2	C1	Br5	107.392	H3	C1	Br4	107.392
H3	C1	Br5	107.392	Br4	C1	Br5	114.511

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B97D3/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	-0.182
2	H	0.171
3	H	0.171
4	Br	-0.080
5	Br	-0.080

	x	y	z	Total
	0.000	0.000	1.589	1.589
CHELPG
AIM
ESP

<r²>	229.724
(<r²>)^1/2	15.157

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)