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	hartrees
Energy at 0K	-5186.804870
Energy at 298.15K
HF Energy	-5186.804870
Nuclear repulsion energy	348.788896

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	3024	1.60	99.78	0.05	0.10
2	A₁	1381	1364	0.00	11.66	0.65	0.79
3	A₁	568	561	3.17	13.54	0.08	0.15
4	A₁	164	162	0.07	4.98	0.41	0.58
5	A₂	1072	1059	0.00	2.08	0.75	0.86
6	B₁	3148	3110	1.55	48.92	0.75	0.86
7	B₁	788	778	4.64	1.10	0.75	0.86
8	B₂	1165	1151	55.76	0.15	0.75	0.86
9	B₂	614	606	109.79	3.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.932
H2	-0.906	0.000	1.538
H3	0.906	0.000	1.538
Br4	0.000	1.632	-0.124
Br5	0.000	-1.632	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0903	1.0903	1.9434	1.9434
H2	1.0903		1.8128	2.4991	2.4991
H3	1.0903	1.8128		2.4991	2.4991
Br4	1.9434	2.4991	2.4991		3.2630
Br5	1.9434	2.4991	2.4991	3.2630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.469	H2	C1	Br4	107.577
H2	C1	Br5	107.577	H3	C1	Br4	107.577
H3	C1	Br5	107.577	Br4	C1	Br5	114.176

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: PBEPBE/Def2TZVPP

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	-0.216
2	H	0.178
3	H	0.178
4	Br	-0.070
5	Br	-0.070

	x	y	z	Total
	0.000	0.000	1.446	1.446
CHELPG
AIM
ESP

<r²>	225.768
(<r²>)^1/2	15.026

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)