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	hartrees
Energy at 0K	-65.263053
Energy at 298.15K
HF Energy	-65.263053
Nuclear repulsion energy	42.510692

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	3362	3027	12.79	141.74	0.07	0.12
2	A₁	1575	1418	1.87	19.39	0.56	0.71
3	A₁	588	530	7.52	41.54	0.12	0.21
4	A₁	181	163	0.07	10.48	0.58	0.73
5	A₂	1240	1116	0.00	13.58	0.75	0.86
6	B₁	3471	3125	0.14	73.85	0.75	0.86
7	B₁	894	805	8.40	7.68	0.75	0.86
8	B₂	1365	1229	122.60	0.27	0.75	0.86
9	B₂	670	604	120.14	27.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.956
H2	-0.891	0.000	1.551
H3	0.891	0.000	1.551
Br4	0.000	1.649	-0.126
Br5	0.000	-1.649	-0.126

	C1	H2	H3	Br4	Br5
C1		1.0710	1.0710	1.9728	1.9728
H2	1.0710		1.7813	2.5153	2.5153
H3	1.0710	1.7813		2.5153	2.5153
Br4	1.9728	2.5153	2.5153		3.2982
Br5	1.9728	2.5153	2.5153	3.2982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.529	H2	C1	Br4	107.747
H2	C1	Br5	107.747	H3	C1	Br4	107.747
H3	C1	Br5	107.747	Br4	C1	Br5	113.424

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: HF/SDD

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	-0.721
2	H	0.297
3	H	0.297
4	Br	0.063
5	Br	0.063

	x	y	z	Total
	0.000	0.000	2.068	2.068
CHELPG
AIM
ESP

<r²>	73.398
(<r²>)^1/2	8.567

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)