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	hartrees
Energy at 0K	-5186.729294
Energy at 298.15K
HF Energy	-5186.729294
Nuclear repulsion energy	347.167005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3067	3039	2.79
2	A₁	1382	1369	0.00
3	A₁	563	558	3.34
4	A₁	164	163	0.05
5	A₂	1078	1068	0.00
6	B₁	3154	3125	0.50
7	B₁	789	782	7.53
8	B₂	1178	1167	67.33
9	B₂	598	592	126.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.930
H2	-0.908	0.000	1.537
H3	0.908	0.000	1.537
Br4	0.000	1.641	-0.124
Br5	0.000	-1.641	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0919	1.0919	1.9502	1.9502
H2	1.0919		1.8153	2.5049	2.5049
H3	1.0919	1.8153		2.5049	2.5049
Br4	1.9502	2.5049	2.5049		3.2820
Br5	1.9502	2.5049	2.5049	3.2820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.448	H2	C1	Br4	107.481
H2	C1	Br5	107.481	H3	C1	Br4	107.481
H3	C1	Br5	107.481	Br4	C1	Br5	114.589

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: PBEPBE/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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	x	y	z	Total
	0.000	0.000	1.523	1.523
CHELPG
AIM
ESP

<r²>	227.909
(<r²>)^1/2	15.097

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)