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	hartrees
Energy at 0K	-5187.780379
Energy at 298.15K
HF Energy	-5187.780379
Nuclear repulsion energy	348.522051

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	3135	3030	1.80	91.91	0.06	0.11
2	A₁	1437	1389	0.03	11.16	0.62	0.76
3	A₁	572	553	3.83	15.63	0.08	0.14
4	A₁	168	162	0.08	4.92	0.42	0.59
5	A₂	1114	1077	0.00	2.98	0.75	0.86
6	B₁	3220	3113	1.41	46.64	0.75	0.86
7	B₁	816	788	4.43	1.27	0.75	0.86
8	B₂	1217	1177	68.03	0.03	0.75	0.86
9	B₂	624	603	106.02	5.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.934
H2	-0.898	0.000	1.535
H3	0.898	0.000	1.535
Br4	0.000	1.633	-0.124
Br5	0.000	-1.633	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0804	1.0804	1.9461	1.9461
H2	1.0804		1.7964	2.4950	2.4950
H3	1.0804	1.7964		2.4950	2.4950
Br4	1.9461	2.4950	2.4950		3.2665
Br5	1.9461	2.4950	2.4950	3.2665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.469	H2	C1	Br4	107.589
H2	C1	Br5	107.589	H3	C1	Br4	107.589
H3	C1	Br5	107.589	Br4	C1	Br5	114.127

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3LYPultrafine/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	-0.176
2	H	0.148
3	H	0.148
4	Br	-0.060
5	Br	-0.060

	x	y	z	Total
	0.000	0.000	1.520	1.520
CHELPG
AIM
ESP

<r²>	226.244
(<r²>)^1/2	15.041

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)