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	hartrees
Energy at 0K	-5130.894200
Energy at 298.15K
HF Energy	-5130.894200
Nuclear repulsion energy	348.079886

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	3339	2955	0.46	41.86	0.13	0.23
2	A₁	1622	1436	0.01	15.70	0.73	0.84
3	A₁	658	582	6.75	9.95	0.13	0.23
4	A₁	190	168	0.52	4.09	0.55	0.71
5	A₂	1254	1110	0.00	12.98	0.75	0.86
6	B₁	3460	3062	0.24	32.95	0.75	0.86
7	B₁	882	780	0.30	2.17	0.75	0.86
8	B₂	1356	1200	52.17	3.01	0.75	0.86
9	B₂	796	704	65.91	5.71	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.902
H2	-0.895	0.000	1.549
H3	0.895	0.000	1.549
Br4	0.000	1.641	-0.122
Br5	0.000	-1.641	-0.122

	C1	H2	H3	Br4	Br5
C1		1.1045	1.1045	1.9336	1.9336
H2	1.1045		1.7899	2.5067	2.5067
H3	1.1045	1.7899		2.5067	2.5067
Br4	1.9336	2.5067	2.5067		3.2816
Br5	1.9336	2.5067	2.5067	3.2816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	108.247	H2	C1	Br4	108.064
H2	C1	Br5	108.064	H3	C1	Br4	108.064
H3	C1	Br5	108.064	Br4	C1	Br5	116.110

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B3PW91/STO-3G

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	-0.246
2	H	0.115
3	H	0.115
4	Br	0.008
5	Br	0.008

	x	y	z	Total
	0.000	0.000	1.374	1.374
CHELPG
AIM
ESP

<r²>	225.272
(<r²>)^1/2	15.009

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B3PW91/STO-3G

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)