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	hartrees
Energy at 0K	-5181.715896
Energy at 298.15K
HF Energy	-5181.715896
Nuclear repulsion energy	352.833059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3054	3020	0.59
2	A₁	1338	1323	0.47
3	A₁	596	589	3.28
4	A₁	170	168	0.07
5	A₂	1052	1041	0.00
6	B₁	3147	3113	3.94
7	B₁	778	770	6.76
8	B₂	1139	1127	47.39
9	B₂	656	649	110.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.921
H2	-0.914	0.000	1.540
H3	0.914	0.000	1.540
Br4	0.000	1.611	-0.123
Br5	0.000	-1.611	-0.123

	C1	H2	H3	Br4	Br5
C1		1.1038	1.1038	1.9194	1.9194
H2	1.1038		1.8277	2.4890	2.4890
H3	1.1038	1.8277		2.4890	2.4890
Br4	1.9194	2.4890	2.4890		3.2214
Br5	1.9194	2.4890	2.4890	3.2214

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.766	H2	C1	Br4	107.762
H2	C1	Br5	107.762	H3	C1	Br4	107.762
H3	C1	Br5	107.762	Br4	C1	Br5	114.103

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: LSDA/cc-pVDZ

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	-0.278
2	H	0.163
3	H	0.163
4	Br	-0.024
5	Br	-0.024

	x	y	z	Total
	0.000	0.000	1.435	1.435
CHELPG
AIM
ESP

<r²>	220.459
(<r²>)^1/2	14.848

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: LSDA/cc-pVDZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)