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	hartrees
Energy at 0K	-538.221471
Energy at 298.15K	-538.225091
HF Energy	-537.568256
Nuclear repulsion energy	94.559820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3196	3098
2	A'	3113	3017
3	A'	1521	1474
4	A'	1484	1438
5	A'	1267	1229
6	A'	1106	1072
7	A'	682	661
8	A'	603	584
9	A'	307	298
10	A"	3275	3175
11	A"	3161	3064
12	A"	1281	1242
13	A"	1071	1038
14	A"	784	760
15	A"	209	203

Atom	x (Å)	y (Å)	z (Å)
C1	-1.465	0.803	0.000
C2	0.000	0.864	0.000
Cl3	0.705	-0.824	0.000
H4	-1.997	0.667	0.926
H5	-1.997	0.667	-0.926
H6	0.401	1.338	-0.889
H7	0.401	1.338	0.889

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4659	2.7118	1.0768	1.0768	2.1352	2.1352
C2	1.4659		1.8299	2.2102	2.2102	1.0846	1.0846
Cl3	2.7118	1.8299		3.2221	3.2221	2.3581	2.3581
H4	1.0768	2.2102	3.2221		1.8521	3.0819	2.4908
H5	1.0768	2.2102	3.2221	1.8521		2.4908	3.0819
H6	2.1352	1.0846	2.3581	3.0819	2.4908		1.7783
H7	2.1352	1.0846	2.3581	2.4908	3.0819	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.243	C1	C2	H6	112.828
C1	C2	H7	112.828	C2	C1	H4	119.956
C2	C1	H5	119.956	Cl3	C2	H6	105.126
Cl3	C2	H7	105.126	H4	C1	H5	118.633

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

using model chemistry: MP4=FULL/aug-cc-pVTZ

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

using model chemistry: MP4=FULL/aug-cc-pVTZ

States and conformations

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