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	hartrees
Energy at 0K	-5176.931818
Energy at 298.15K
HF Energy	-5176.931818
Nuclear repulsion energy	355.041744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3068	3022	0.23
2	A₁	1381	1361	0.33
3	A₁	596	587	2.96
4	A₁	172	170	0.08
5	A₂	1092	1075	0.00
6	B₁	3158	3110	6.01
7	B₁	809	797	6.18
8	B₂	1182	1165	60.82
9	B₂	651	642	111.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.933
H2	-0.909	0.000	1.545
H3	0.909	0.000	1.545
Br4	0.000	1.596	-0.124
Br5	0.000	-1.596	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0963	1.0963	1.9146	1.9146
H2	1.0963		1.8186	2.4824	2.4824
H3	1.0963	1.8186		2.4824	2.4824
Br4	1.9146	2.4824	2.4824		3.1928
Br5	1.9146	2.4824	2.4824	3.1928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.081	H2	C1	Br4	107.961
H2	C1	Br5	107.961	H3	C1	Br4	107.961
H3	C1	Br5	107.961	Br4	C1	Br5	112.986

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: LSDA/6-31+G**

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	-0.399
2	H	0.247
3	H	0.247
4	Br	-0.048
5	Br	-0.048

	x	y	z	Total
	0.000	0.000	1.554	1.554
CHELPG
AIM
ESP

<r²>	218.008
(<r²>)^1/2	14.765

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: LSDA/6-31+G**

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)