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	hartrees
Energy at 0K	-5182.465368
Energy at 298.15K	-5182.473351
HF Energy	-5182.465368
Nuclear repulsion energy	350.069111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3168	3039	2.98
2	A₁	1473	1413	0.74
3	A₁	579	556	5.46
4	A₁	171	164	0.10
5	A₂	1125	1080	0.00
6	B₁	3263	3130	0.35
7	B₁	811	778	4.69
8	B₂	1229	1179	78.89
9	B₂	617	592	112.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.942
H2	-0.900	0.000	1.552
H3	0.900	0.000	1.552
Br4	0.000	1.621	-0.125
Br5	0.000	-1.621	-0.125

	C1	H2	H3	Br4	Br5
C1		1.0872	1.0872	1.9408	1.9408
H2	1.0872		1.8000	2.5001	2.5001
H3	1.0872	1.8000		2.5001	2.5001
Br4	1.9408	2.5001	2.5001		3.2423
Br5	1.9408	2.5001	2.5001	3.2423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.742	H2	C1	Br4	107.967
H2	C1	Br5	107.967	H3	C1	Br4	107.967
H3	C1	Br5	107.967	Br4	C1	Br5	113.291

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: TPSSh/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	-0.358
2	H	0.250
3	H	0.250
4	Br	-0.071
5	Br	-0.071

	x	y	z	Total
	0.000	0.000	1.581	1.581
CHELPG
AIM
ESP

<r²>	223.334
(<r²>)^1/2	14.944

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: TPSSh/6-31G*

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)