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	hartrees
Energy at 0K	-5187.069337
Energy at 298.15K
HF Energy	-5187.069337
Nuclear repulsion energy	338.427390

Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
A'	3224	3100	0.85
A'	624	600	5.55
A'	383	368	26.92
A'	186	179	0.17
A"	1178	1133	57.75
A"	785	755	123.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.821	0.000
H2	-0.435	1.806	0.000
Br3	0.006	-0.096	1.612
Br4	0.006	-0.096	-1.612

	C1	H2	Br3	Br4
C1		1.0793	1.8548	1.8548
H2	1.0793		2.5321	2.5321
Br3	1.8548	2.5321		3.2246
Br4	1.8548	2.5321	3.2246

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.824		H2	C1	Br4	116.824
Br3	C1	Br4	120.749

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

using model chemistry: B3PW91/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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Number	Element	Mulliken
1	C	-0.209
2	H	0.151
3	Br	0.029
4	Br	0.029

	x	y	z	Total
	-0.392	0.660	0.000	0.768
CHELPG
AIM
ESP

	x	y	z
x	4.618	-0.108	0.000
y	-0.108	5.878	0.000
z	0.000	0.000	10.684

<r²>	216.117
(<r²>)^1/2	14.701

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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