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	hartrees
Energy at 0K	-537.145030
Energy at 298.15K	-537.148545
HF Energy	-537.145030
Nuclear repulsion energy	94.028433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3114	3055	1.34
2	A'	3046	2989	7.81
3	A'	1465	1437	0.73
4	A'	1420	1393	8.94
5	A'	1199	1177	7.29
6	A'	1140	1119	6.82
7	A'	680	667	80.17
8	A'	527	517	36.00
9	A'	284	278	17.06
10	A"	3220	3159	2.19
11	A"	3113	3055	1.10
12	A"	1215	1192	0.13
13	A"	1031	1011	0.82
14	A"	767	753	4.07
15	A"	227	223	0.90

Atom	x (Å)	y (Å)	z (Å)
C1	-1.441	0.822	0.000
C2	0.000	0.886	0.000
Cl3	0.693	-0.842	0.000
H4	-1.990	0.686	0.937
H5	-1.990	0.686	-0.937
H6	0.427	1.348	-0.902
H7	0.427	1.348	0.902

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4429	2.7058	1.0940	1.0940	2.1410	2.1410
C2	1.4429		1.8616	2.2084	2.2084	1.1001	1.1001
Cl3	2.7058	1.8616		3.2259	3.2259	2.3835	2.3835
H4	1.0940	2.2084	3.2259		1.8739	3.1087	2.5065
H5	1.0940	2.2084	3.2259	1.8739		2.5065	3.1087
H6	2.1410	1.1001	2.3835	3.1087	2.5065		1.8044
H7	2.1410	1.1001	2.3835	2.5065	3.1087	1.8044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.283	C1	C2	H6	114.011
C1	C2	H7	114.011	C2	C1	H4	120.412
C2	C1	H5	120.412	Cl3	C2	H6	104.209
Cl3	C2	H7	104.209	H4	C1	H5	117.830

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

using model chemistry: LSDA/6-31G*

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	-0.301
2	C	-0.466
3	Cl	-0.088
4	H	0.194
5	H	0.194
6	H	0.233
7	H	0.233

	x	y	z	Total
	-1.013	1.884	0.000	2.139
CHELPG
AIM
ESP

	x	y	z
x	5.630	-1.330	0.000
y	-1.330	4.920	0.000
z	0.000	0.000	3.794

<r²>	73.470
(<r²>)^1/2	8.571

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

using model chemistry: LSDA/6-31G*

States and conformations

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