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	hartrees
Energy at 0K	-5187.672488
Energy at 298.15K
HF Energy	-5187.672488
Nuclear repulsion energy	351.621503

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	3141	3141	1.35	92.97	0.04	0.08
2	A₁	1413	1413	0.04	9.57	0.51	0.67
3	A₁	601	601	3.96	19.43	0.07	0.12
4	A₁	175	175	0.09	3.41	0.32	0.49
5	A₂	1124	1124	0.00	1.08	0.75	0.86
6	B₁	3236	3236	2.72	42.35	0.75	0.86
7	B₁	818	818	3.60	0.39	0.75	0.86
8	B₂	1215	1215	62.30	0.25	0.75	0.86
9	B₂	680	680	90.32	4.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.936
H2	-0.905	0.000	1.545
H3	0.905	0.000	1.545
Br4	0.000	1.615	-0.124
Br5	0.000	-1.615	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0912	1.0912	1.9315	1.9315
H2	1.0912		1.8098	2.4927	2.4927
H3	1.0912	1.8098		2.4927	2.4927
Br4	1.9315	2.4927	2.4927		3.2296
Br5	1.9315	2.4927	2.4927	3.2296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.057	H2	C1	Br4	107.855
H2	C1	Br5	107.855	H3	C1	Br4	107.855
H3	C1	Br5	107.855	Br4	C1	Br5	113.443

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: wB97X-D/daug-cc-pVDZ

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	-0.159
2	H	-0.187
3	H	-0.187
4	Br	0.266
5	Br	0.266

	x	y	z	Total
	0.000	0.000	1.529	1.529
CHELPG
AIM
ESP

<r²>	222.091
(<r²>)^1/2	14.903

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: wB97X-D/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)