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	hartrees
Energy at 0K	-534.881012
Energy at 298.15K	-534.884720
HF Energy	-534.881012
Nuclear repulsion energy	92.058407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3334	3024	4.36
2	A'	3320	3012	9.25
3	A'	1648	1495	4.38
4	A'	1607	1457	3.42
5	A'	1367	1240	31.05
6	A'	1115	1011	11.84
7	A'	656	595	135.91
8	A'	572	519	38.06
9	A'	323	293	17.69
10	A"	3447	3127	4.19
11	A"	3393	3077	0.06
12	A"	1382	1254	0.21
13	A"	1144	1037	0.35
14	A"	856	777	3.30
15	A"	252	229	2.08

Atom	x (Å)	y (Å)	z (Å)
C1	-1.470	0.872	0.000
C2	0.000	0.931	0.000
Cl3	0.703	-0.880	0.000
H4	-1.993	0.716	0.921
H5	-1.993	0.716	-0.921
H6	0.428	1.352	-0.890
H7	0.428	1.352	0.890

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4709	2.7909	1.0705	1.0705	2.1505	2.1505
C2	1.4709		1.9424	2.2056	2.2056	1.0735	1.0735
Cl3	2.7909	1.9424		3.2651	3.2651	2.4184	2.4184
H4	1.0705	2.2056	3.2651		1.8420	3.0893	2.5032
H5	1.0705	2.2056	3.2651	1.8420		2.5032	3.0893
H6	2.1505	1.0735	2.4184	3.0893	2.5032		1.7795
H7	2.1505	1.0735	2.4184	2.5032	3.0893	1.7795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	108.915	C1	C2	H6	114.478
C1	C2	H7	114.478	C2	C1	H4	119.595
C2	C1	H5	119.595	Cl3	C2	H6	102.791
Cl3	C2	H7	102.791	H4	C1	H5	118.717

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

using model chemistry: ROHF/3-21G

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	-0.347
2	C	-0.560
3	Cl	-0.143
4	H	0.238
5	H	0.238
6	H	0.287
7	H	0.287

	x	y	z	Total
	-1.444	2.736	0.000	3.094
CHELPG
AIM
ESP

<r²>	76.905
(<r²>)^1/2	8.770

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

using model chemistry: ROHF/3-21G

States and conformations

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