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	hartrees
Energy at 0K	-5187.254966
Energy at 298.15K
HF Energy	-5187.254966
Nuclear repulsion energy	337.855259

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'	3248	3099	0.89	95.80	0.28	0.44
2	A'	629	600	7.40	5.95	0.33	0.49
3	A'	403	385	36.28	8.91	0.08	0.15
4	A'	189	180	0.20	4.17	0.57	0.73
5	A"	1214	1158	61.16	1.93	0.75	0.86
6	A"	790	754	135.14	1.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.821	0.000
H2	-0.451	1.799	0.000
Br3	0.006	-0.096	1.615
Br4	0.006	-0.096	-1.615

	C1	H2	Br3	Br4
C1		1.0800	1.8576	1.8576
H2	1.0800		2.5321	2.5321
Br3	1.8576	2.5321		3.2309
Br4	1.8576	2.5321	3.2309

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.567		H2	C1	Br4	116.567
Br3	C1	Br4	120.833

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

using model chemistry: mPW1PW91/6-311G*

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	-0.472
2	H	0.301
3	Br	0.085
4	Br	0.085

	x	y	z	Total
	-0.485	0.671	0.000	0.828
CHELPG
AIM
ESP

	x	y	z
x	3.397	-0.140	0.000
y	-0.140	4.851	0.000
z	0.000	0.000	9.702

<r²>	216.819
(<r²>)^1/2	14.725

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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