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	hartrees
Energy at 0K	-537.110165
Energy at 298.15K	-537.113671
HF Energy	-537.110165
Nuclear repulsion energy	91.160113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3116	3053	0.51
2	A'	3084	3022	3.37
3	A'	1492	1462	0.37
4	A'	1443	1414	15.27
5	A'	1203	1178	4.87
6	A'	1141	1118	0.47
7	A'	774	758	74.49
8	A'	357	349	42.40
9	A'	270	265	11.14
10	A"	3231	3165	2.92
11	A"	3168	3104	0.22
12	A"	1223	1198	0.08
13	A"	999	979	0.18
14	A"	794	778	5.87
15	A"	306	299	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	-1.420	0.905	0.000
C2	0.000	0.977	0.000
Cl3	0.678	-0.918	0.000
H4	-1.976	0.800	0.937
H5	-1.976	0.800	-0.937
H6	0.473	1.358	-0.913
H7	0.473	1.358	0.913

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4220	2.7801	1.0942	1.0942	2.1506	2.1506
C2	1.4220		2.0130	2.1939	2.1939	1.0973	1.0973
Cl3	2.7801	2.0130		3.2979	3.2979	2.4617	2.4617
H4	1.0942	2.1939	3.2979		1.8732	3.1199	2.5123
H5	1.0942	2.1939	3.2979	1.8732		2.5123	3.1199
H6	2.1506	1.0973	2.4617	3.1199	2.5123		1.8270
H7	2.1506	1.0973	2.4617	2.5123	3.1199	1.8270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	106.800	C1	C2	H6	116.639
C1	C2	H7	116.639	C2	C1	H4	120.811
C2	C1	H5	120.811	Cl3	C2	H6	100.480
Cl3	C2	H7	100.480	H4	C1	H5	117.736

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	-0.235
2	C	-0.488
3	Cl	-0.120
4	H	0.188
5	H	0.188
6	H	0.234
7	H	0.234

	x	y	z	Total
	-1.349	2.520	0.000	2.859
CHELPG
AIM
ESP

	x	y	z
x	5.786	-1.837	0.000
y	-1.837	5.321	0.000
z	0.000	0.000	3.432

<r²>	77.382
(<r²>)^1/2	8.797

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)