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	hartrees
Energy at 0K	-5182.748306
Energy at 298.15K
HF Energy	-5182.748306
Nuclear repulsion energy	349.115258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3147	3030	1.35	82.32	0.08	0.15
2	A₁	1449	1395	0.15	13.77	0.56	0.71
3	A₁	572	550	4.39	19.43	0.06	0.12
4	A₁	170	164	0.08	4.17	0.45	0.62
5	A₂	1135	1093	0.00	5.34	0.75	0.86
6	B₁	3241	3120	2.71	51.16	0.75	0.86
7	B₁	831	800	4.89	1.24	0.75	0.86
8	B₂	1239	1193	87.01	0.61	0.75	0.86
9	B₂	620	597	114.01	6.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.946
H2	-0.903	0.000	1.548
H3	0.903	0.000	1.548
Br4	0.000	1.627	-0.125
Br5	0.000	-1.627	-0.125

	C1	H2	H3	Br4	Br5
C1		1.0853	1.0853	1.9479	1.9479
H2	1.0853		1.8068	2.5022	2.5022
H3	1.0853	1.8068		2.5022	2.5022
Br4	1.9479	2.5022	2.5022		3.2532
Br5	1.9479	2.5022	2.5022	3.2532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.697	H2	C1	Br4	107.751
H2	C1	Br5	107.751	H3	C1	Br4	107.751
H3	C1	Br5	107.751	Br4	C1	Br5	113.241

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3LYPultrafine/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	-0.278
2	H	0.212
3	H	0.212
4	Br	-0.072
5	Br	-0.072

	x	y	z	Total
	0.000	0.000	1.607	1.607
CHELPG
AIM
ESP

<r²>	225.154
(<r²>)^1/2	15.005

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)