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	hartrees
Energy at 0K	-872.934876
Energy at 298.15K
HF Energy	-872.934876
Nuclear repulsion energy	207.335935

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	3061	1.93	93.34	0.06	0.11
2	A₁	1389	1389	0.24	10.81	0.63	0.77
3	A₁	538	538	3.15	15.73	0.07	0.13
4	A₁	157	157	0.04	5.86	0.39	0.56
5	A₂	1061	1061	0.00	2.97	0.75	0.86
6	B₁	3149	3149	0.83	46.89	0.75	0.86
7	B₁	784	784	4.43	1.50	0.75	0.86
8	B₂	1166	1166	66.69	0.10	0.75	0.86
9	B₂	564	564	121.53	3.88	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.945
H2	-0.907	0.000	1.542
H3	0.907	0.000	1.542
Br4	0.000	1.658	-0.125
Br5	0.000	-1.658	-0.125

	C1	H2	H3	Br4	Br5
C1		1.0862	1.0862	1.9731	1.9731
H2	1.0862		1.8146	2.5200	2.5200
H3	1.0862	1.8146		2.5200	2.5200
Br4	1.9731	2.5200	2.5200		3.3160
Br5	1.9731	2.5200	2.5200	3.3160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.294	H2	C1	Br4	107.341
H2	C1	Br5	107.341	H3	C1	Br4	107.341
H3	C1	Br5	107.341	Br4	C1	Br5	114.345

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: BLYP/cc-pVTZ-PP

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	-0.218
2	H	0.145
3	H	0.145
4	Br	-0.036
5	Br	-0.036

	x	y	z	Total
	0.000	0.000	1.392	1.392
CHELPG
AIM
ESP

<r²>	176.484
(<r²>)^1/2	13.285

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: BLYP/cc-pVTZ-PP

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)