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	hartrees
Energy at 0K	-5186.921073
Energy at 298.15K
HF Energy	-5186.684607
Nuclear repulsion energy	351.056131

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	3159	3019	1.97	91.01	0.06	0.11
2	A₁	1453	1389	0.03	10.84	0.63	0.77
3	A₁	588	562	3.70	15.03	0.07	0.14
4	A₁	172	164	0.08	4.40	0.43	0.60
5	A₂	1128	1079	0.00	3.07	0.75	0.86
6	B₁	3238	3095	1.48	46.08	0.75	0.86
7	B₁	823	787	4.24	1.21	0.75	0.86
8	B₂	1229	1174	66.89	0.03	0.75	0.86
9	B₂	656	627	92.23	5.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.932
H2	-0.895	0.000	1.534
H3	0.895	0.000	1.534
Br4	0.000	1.620	-0.124
Br5	0.000	-1.620	-0.124

	C1	H2	H3	Br4	Br5
C1		1.0785	1.0785	1.9336	1.9336
H2	1.0785		1.7909	2.4844	2.4844
H3	1.0785	1.7909		2.4844	2.4844
Br4	1.9336	2.4844	2.4844		3.2394
Br5	1.9336	2.4844	2.4844	3.2394

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.246	H2	C1	Br4	107.726
H2	C1	Br5	107.726	H3	C1	Br4	107.726
H3	C1	Br5	107.726	Br4	C1	Br5	113.785

All results from a given calculation for CH₂Br₂ (dibromomethane)

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CH2Br2 (dibromomethane)

using model chemistry: B2PLYP=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₂Br₂ (dibromomethane)