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	hartrees
Energy at 0K	-5184.031537
Energy at 298.15K
HF Energy	-5183.333651
Nuclear repulsion energy	342.125894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3298	3131	1.07	91.30	0.23	0.37
2	A'	654	621	6.30	4.54	0.27	0.43
3	A'	411	390	25.91	5.77	0.04	0.09
4	A'	194	184	0.11	2.76	0.52	0.69
5	A"	1223	1161	62.00	0.95	0.75	0.86
6	A"	832	790	112.85	0.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.819	0.000
H2	-0.425	1.798	0.000
Br3	0.006	-0.096	1.593
Br4	0.006	-0.096	-1.593

	C1	H2	Br3	Br4
C1		1.0701	1.8371	1.8371
H2	1.0701		2.5124	2.5124
Br3	1.8371	2.5124		3.1865
Br4	1.8371	2.5124	3.1865

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	117.114		H2	C1	Br4	117.114
Br3	C1	Br4	120.280

All results from a given calculation for CHBr₂ (dibromomethyl radical)

using model chemistry: MP2=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 CHBr2 (dibromomethyl radical)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CHBr₂ (dibromomethyl radical)