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	hartrees
Energy at 0K	-499.438653
Energy at 298.15K	-499.439530
HF Energy	-499.438653
Nuclear repulsion energy	45.616457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3191	5.80
2	A'	1425	1425	9.83
3	A'	846	846	37.73
4	A'	214	214	62.52
5	A"	3341	3341	0.36
6	A"	999	999	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.007	1.111	0.000
Cl2	-0.007	-0.581	0.000
H3	0.077	1.610	0.949
H4	0.077	1.610	-0.949

	C1	Cl2	H3	H4
C1		1.6920	1.0751	1.0751
Cl2	1.6920		2.3889	2.3889
H3	1.0751	2.3889		1.8974
H4	1.0751	2.3889	1.8974

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.644		Br2	C1	H4	117.644
H3	C1	H4	123.869

All results from a given calculation for CH₂Cl (chloromethyl radical)

using model chemistry: M06-2X/cc-pV(T+d)Z

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	-0.276
2	Cl	-0.051
3	H	0.163
4	H	0.163

	x	y	z	Total
	0.140	1.130	0.000	1.138
CHELPG
AIM
ESP

	x	y	z
x	2.479	0.022	0.000
y	0.022	4.836	0.000
z	0.000	0.000	2.895

<r²>	31.865
(<r²>)^1/2	5.645

All results from a given calculation for CH2Cl (chloromethyl radical)

using model chemistry: M06-2X/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₂Cl (chloromethyl radical)