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	hartrees
Energy at 0K	-5188.247506
Energy at 298.15K
HF Energy	-5188.247506
Nuclear repulsion energy	352.592809

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	3152	3152	1.15	98.42	0.04	0.08
2	A₁	1400	1400	0.01	9.59	0.53	0.70
3	A₁	596	596	3.79	18.73	0.06	0.12
4	A₁	172	172	0.09	3.48	0.33	0.50
5	A₂	1112	1112	0.00	1.08	0.75	0.86
6	B₁	3248	3248	2.78	45.74	0.75	0.86
7	B₁	810	810	3.48	0.41	0.75	0.86
8	B₂	1196	1196	59.38	0.10	0.75	0.86
9	B₂	663	663	98.96	4.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.933
H2	-0.904	0.000	1.540
H3	0.904	0.000	1.540
Br4	0.000	1.610	-0.124
Br5	0.000	-1.610	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0885	1.0885	1.9263	1.9263
H2	1.0885		1.8074	2.4855	2.4855
H3	1.0885	1.8074		2.4855	2.4855
Br4	1.9263	2.4855	2.4855		3.2206
Br5	1.9263	2.4855	2.4855	3.2206

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.254	H2	C1	Br4	107.810
H2	C1	Br5	107.810	H3	C1	Br4	107.810
H3	C1	Br5	107.810	Br4	C1	Br5	113.433

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B1B95/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	-0.132
2	H	-0.218
3	H	-0.218
4	Br	0.284
5	Br	0.284

	x	y	z	Total
	0.000	0.000	1.490	1.490
CHELPG
AIM
ESP

<r²>	220.945
(<r²>)^1/2	14.864

All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B1B95/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)