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	hartrees
Energy at 0K	-5186.895427
Energy at 298.15K
HF Energy	-5186.895427
Nuclear repulsion energy	348.538889

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	3061	3040	1.66	95.72	0.06	0.11
2	A₁	1381	1371	0.00	10.92	0.65	0.79
3	A₁	567	563	3.10	13.89	0.07	0.13
4	A₁	164	163	0.07	5.30	0.42	0.59
5	A₂	1072	1065	0.00	3.06	0.75	0.86
6	B₁	3145	3123	1.34	47.52	0.75	0.86
7	B₁	789	784	4.71	1.34	0.75	0.86
8	B₂	1166	1158	57.70	0.38	0.75	0.86
9	B₂	613	608	112.68	3.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.933
H2	-0.907	0.000	1.538
H3	0.907	0.000	1.538
Br4	0.000	1.633	-0.124
Br5	0.000	-1.633	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0901	1.0901	1.9449	1.9449
H2	1.0901		1.8131	2.5001	2.5001
H3	1.0901	1.8131		2.5001	2.5001
Br4	1.9449	2.5001	2.5001		3.2655
Br5	1.9449	2.5001	2.5001	3.2655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.527	H2	C1	Br4	107.563
H2	C1	Br5	107.563	H3	C1	Br4	107.563
H3	C1	Br5	107.563	Br4	C1	Br5	114.179

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: PBEPBEultrafine/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	-0.178
2	H	0.142
3	H	0.142
4	Br	-0.053
5	Br	-0.053

	x	y	z	Total
	0.000	0.000	1.461	1.461
CHELPG
AIM
ESP

<r²>	226.076
(<r²>)^1/2	15.036

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)