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	hartrees
Energy at 0K	-5129.469083
Energy at 298.15K
HF Energy	-5129.446980
Nuclear repulsion energy	332.390278

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'	3439	3439	0.56	42.69	0.36	0.53
2	A'	676	676	14.61	4.90	0.31	0.47
3	A'	475	475	9.14	6.10	0.15	0.25
4	A'	200	200	0.41	2.81	0.62	0.76
5	A"	1342	1342	84.21	6.25	0.75	0.86
6	A"	910	910	96.99	2.69	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.820	0.000
H2	-0.511	1.793	0.000
Br3	0.007	-0.096	1.645
Br4	0.007	-0.096	-1.645

	C1	H2	Br3	Br4
C1		1.1014	1.8832	1.8832
H2	1.1014		2.5577	2.5577
Br3	1.8832	2.5577		3.2904
Br4	1.8832	2.5577	3.2904

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.442		H2	C1	Br4	115.442
Br3	C1	Br4	121.763

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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: B2PLYP=FULLultrafine/STO-3G

States and conformations

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