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	hartrees
Energy at 0K	-531.664347
Energy at 298.15K	-531.667998
HF Energy	-531.664347
Nuclear repulsion energy	93.554247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3635	2968	0.30
2	A'	3614	2951	0.48
3	A'	1772	1447	1.83
4	A'	1711	1397	1.93
5	A'	1500	1225	23.69
6	A'	1217	994	3.20
7	A'	873	713	41.30
8	A'	636	520	8.97
9	A'	343	280	5.86
10	A"	3812	3112	0.43
11	A"	3741	3055	0.54
12	A"	1457	1189	2.14
13	A"	1231	1005	0.03
14	A"	883	721	0.18
15	A"	228	186	1.55

Atom	x (Å)	y (Å)	z (Å)
C1	-1.507	0.812	0.000
C2	0.000	0.863	0.000
Cl3	0.724	-0.821	0.000
H4	-2.021	0.593	0.927
H5	-2.021	0.593	-0.927
H6	0.388	1.360	-0.890
H7	0.388	1.360	0.890

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.5075	2.7641	1.0826	1.0826	2.1637	2.1637
C2	1.5075		1.8331	2.2398	2.2398	1.0904	1.0904
Cl3	2.7641	1.8331		3.2238	3.2238	2.3793	2.3793
H4	1.0826	2.2398	3.2238		1.8542	3.1132	2.5284
H5	1.0826	2.2398	3.2238	1.8542		2.5284	3.1132
H6	2.1637	1.0904	2.3793	3.1132	2.5284		1.7795
H7	2.1637	1.0904	2.3793	2.5284	3.1132	1.7795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	111.302	C1	C2	H6	111.787
C1	C2	H7	111.787	C2	C1	H4	118.802
C2	C1	H5	118.802	Cl3	C2	H6	106.148
Cl3	C2	H7	106.148	H4	C1	H5	117.832

All results from a given calculation for CH₂CH₂Cl (2-chloroethyl radical)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.081
2	C	-0.063
3	Cl	-0.193
4	H	0.070
5	H	0.070
6	H	0.099
7	H	0.099

	x	y	z	Total
	-1.120	2.096	0.000	2.376
CHELPG
AIM
ESP

	x	y	z
x	2.099	-0.655	0.000
y	-0.655	2.414	0.000
z	0.000	0.000	1.631

<r²>	73.618
(<r²>)^1/2	8.580

All results from a given calculation for CH2CH2Cl (2-chloroethyl radical)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for CH₂CH₂Cl (2-chloroethyl radical)