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	hartrees
Energy at 0K	-872.268090
Energy at 298.15K
HF Energy	-872.036028
Nuclear repulsion energy	211.785347

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	3158	3158	1.98	90.72	0.06	0.11
2	A₁	1452	1452	0.08	10.17	0.64	0.78
3	A₁	587	587	3.42	15.15	0.07	0.13
4	A₁	171	171	0.07	4.30	0.40	0.57
5	A₂	1122	1122	0.00	3.02	0.75	0.86
6	B₁	3239	3239	1.45	45.67	0.75	0.86
7	B₁	823	823	4.29	1.26	0.75	0.86
8	B₂	1225	1225	67.35	0.01	0.75	0.86
9	B₂	655	655	90.73	5.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.934
H2	-0.896	0.000	1.534
H3	0.896	0.000	1.534
Br4	0.000	1.618	-0.124
Br5	0.000	-1.618	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0786	1.0786	1.9334	1.9334
H2	1.0786		1.7925	2.4842	2.4842
H3	1.0786	1.7925		2.4842	2.4842
Br4	1.9334	2.4842	2.4842		3.2365
Br5	1.9334	2.4842	2.4842	3.2365

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.393	H2	C1	Br4	107.725
H2	C1	Br5	107.725	H3	C1	Br4	107.725
H3	C1	Br5	107.725	Br4	C1	Br5	113.646

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B2PLYP=FULLultrafine/cc-pVTZ-PP

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)