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	hartrees
Energy at 0K	-538.148310
Energy at 298.15K	-538.151916
HF Energy	-537.568105
Nuclear repulsion energy	94.145252

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3169	3084
2	A'	3101	3017
3	A'	1511	1471
4	A'	1474	1435
5	A'	1263	1229
6	A'	1096	1067
7	A'	671	653
8	A'	594	578
9	A'	303	295
10	A"	3282	3194
11	A"	3167	3082
12	A"	1268	1234
13	A"	1069	1041
14	A"	781	760
15	A"	214	208

Atom	x (Å)	y (Å)	z (Å)
C1	-1.470	0.806	0.000
C2	0.000	0.872	0.000
Cl3	0.707	-0.828	0.000
H4	-2.005	0.668	0.929
H5	-2.005	0.668	-0.929
H6	0.406	1.340	-0.893
H7	0.406	1.340	0.893

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4717	2.7223	1.0809	1.0809	2.1458	2.1458
C2	1.4717		1.8410	2.2189	2.2189	1.0874	1.0874
Cl3	2.7223	1.8410		3.2335	3.2335	2.3646	2.3646
H4	1.0809	2.2189	3.2335		1.8588	3.0961	2.5032
H5	1.0809	2.2189	3.2335	1.8588		2.5032	3.0961
H6	2.1458	1.0874	2.3646	3.0961	2.5032		1.7860
H7	2.1458	1.0874	2.3646	2.5032	3.0961	1.7860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.028	C1	C2	H6	113.110
C1	C2	H7	113.110	C2	C1	H4	119.973
C2	C1	H5	119.973	Cl3	C2	H6	104.755
Cl3	C2	H7	104.755	H4	C1	H5	118.592

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

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

States and conformations

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