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	hartrees
Energy at 0K	-5183.018052
Energy at 298.15K
HF Energy	-5183.018052
Nuclear repulsion energy	352.319659

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3187	3023	2.19
2	A₁	1472	1396	0.10
3	A₁	598	567	4.85
4	A₁	179	169	0.09
5	A₂	1143	1084	0.00
6	B₁	3281	3111	0.97
7	B₁	820	778	5.30
8	B₂	1244	1180	70.67
9	B₂	657	623	98.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.937
H2	-0.900	0.000	1.541
H3	0.900	0.000	1.541
Br4	0.000	1.611	-0.124
Br5	0.000	-1.611	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0844	1.0844	1.9293	1.9293
H2	1.0844		1.8008	2.4861	2.4861
H3	1.0844	1.8008		2.4861	2.4861
Br4	1.9293	2.4861	2.4861		3.2223
Br5	1.9293	2.4861	2.4861	3.2223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.266	H2	C1	Br4	107.852
H2	C1	Br5	107.852	H3	C1	Br4	107.852
H3	C1	Br5	107.852	Br4	C1	Br5	113.252

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: mPW1PW91/6-31G*

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	-0.387
2	H	0.259
3	H	0.259
4	Br	-0.066
5	Br	-0.066

	x	y	z	Total
	0.000	0.000	1.562	1.562
CHELPG
AIM
ESP

<r²>	220.733
(<r²>)^1/2	14.857

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)