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	hartrees
Energy at 0K	-538.113408
Energy at 298.15K	-538.117053
HF Energy	-537.566964
Nuclear repulsion energy	94.455345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3212	3034	3.11
2	A'	3153	2978	12.06
3	A'	1525	1441	0.43
4	A'	1494	1412	3.21
5	A'	1288	1216	17.93
6	A'	1107	1046	8.43
7	A'	694	655	90.56
8	A'	611	578	4.31
9	A'	312	295	10.56
10	A"	3324	3140	3.11
11	A"	3214	3036	2.56
12	A"	1286	1215	0.18
13	A"	1085	1025	0.85
14	A"	790	747	0.94
15	A"	211	199	1.45

Atom	x (Å)	y (Å)	z (Å)
C1	-1.471	0.804	0.000
C2	0.000	0.861	0.000
Cl3	0.708	-0.824	0.000
H4	-2.005	0.668	0.926
H5	-2.005	0.668	-0.926
H6	0.400	1.337	-0.887
H7	0.400	1.337	0.887

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4724	2.7204	1.0773	1.0773	2.1382	2.1382
C2	1.4724		1.8278	2.2170	2.2170	1.0831	1.0831
Cl3	2.7204	1.8278		3.2320	3.2320	2.3562	2.3562
H4	1.0773	2.2170	3.2320		1.8517	3.0850	2.4966
H5	1.0773	2.2170	3.2320	1.8517		2.4966	3.0850
H6	2.1382	1.0831	2.3562	3.0850	2.4966		1.7737
H7	2.1382	1.0831	2.3562	2.4966	3.0850	1.7737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.579	C1	C2	H6	112.700
C1	C2	H7	112.700	C2	C1	H4	120.001
C2	C1	H5	120.001	Cl3	C2	H6	105.199
Cl3	C2	H7	105.199	H4	C1	H5	118.496

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

using model chemistry: MP3/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: MP3/cc-pVTZ

States and conformations

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