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	hartrees
Energy at 0K	-5187.556564
Energy at 298.15K	-5187.564559
HF Energy	-5187.556564
Nuclear repulsion energy	349.992971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3132	3033	2.04
2	A₁	1442	1396	0.10
3	A₁	580	561	4.27
4	A₁	165	160	0.11
5	A₂	1110	1075	0.00
6	B₁	3220	3118	1.17
7	B₁	815	789	3.87
8	B₂	1210	1172	69.35
9	B₂	627	608	111.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.935
H2	-0.896	0.000	1.545
H3	0.896	0.000	1.545
Br4	0.000	1.621	-0.124
Br5	0.000	-1.621	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0840	1.0840	1.9365	1.9365
H2	1.0840		1.7922	2.4933	2.4933
H3	1.0840	1.7922		2.4933	2.4933
Br4	1.9365	2.4933	2.4933		3.2425
Br5	1.9365	2.4933	2.4933	3.2425

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.518	H2	C1	Br4	107.921
H2	C1	Br5	107.921	H3	C1	Br4	107.921
H3	C1	Br5	107.921	Br4	C1	Br5	113.694

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: TPSSh/cc-pVTZ

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	-0.115
2	H	0.132
3	H	0.132
4	Br	-0.074
5	Br	-0.074

<r²>	224.238
(<r²>)^1/2	14.975

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)