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	hartrees
Energy at 0K	-5183.011769
Energy at 298.15K
HF Energy	-5183.011769
Nuclear repulsion energy	355.453753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3134	3013	1.83
2	A₁	1436	1380	0.01
3	A₁	610	586	3.56
4	A₁	177	171	0.11
5	A₂	1123	1080	0.00
6	B₁	3217	3092	1.09
7	B₁	826	794	3.65
8	B₂	1219	1172	51.53
9	B₂	683	657	83.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.926
H2	-0.896	0.000	1.541
H3	0.896	0.000	1.541
Br4	0.000	1.596	-0.123
Br5	0.000	-1.596	-0.123

	C1	H2	H3	Br4	Br5
C1		1.0867	1.0867	1.9105	1.9105
H2	1.0867		1.7924	2.4741	2.4741
H3	1.0867	1.7924		2.4741	2.4741
Br4	1.9105	2.4741	2.4741		3.1927
Br5	1.9105	2.4741	2.4741	3.1927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.115	H2	C1	Br4	108.102
H2	C1	Br5	108.102	H3	C1	Br4	108.102
H3	C1	Br5	108.102	Br4	C1	Br5	113.353

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.511
2	H	0.220
3	H	0.220
4	Br	0.035
5	Br	0.035

	x	y	z	Total
	0.000	0.000	1.448	1.448
CHELPG
AIM
ESP

<r²>	217.210
(<r²>)^1/2	14.738

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)