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	hartrees
Energy at 0K	-538.112033
Energy at 298.15K	-538.115675
HF Energy	-537.566916
Nuclear repulsion energy	94.469928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	2983	3.47
2	A'	3132	2925	13.41
3	A'	1524	1423	0.48
4	A'	1493	1394	2.97
5	A'	1291	1206	18.56
6	A'	1104	1031	8.16
7	A'	697	651	87.48
8	A'	610	570	5.59
9	A'	313	292	10.25
10	A"	3306	3087	3.54
11	A"	3193	2982	3.05
12	A"	1286	1201	0.17
13	A"	1086	1014	0.85
14	A"	790	737	0.89
15	A"	208	194	1.43

Atom	x (Å)	y (Å)	z (Å)
C1	-1.473	0.803	0.000
C2	0.000	0.859	0.000
Cl3	0.709	-0.822	0.000
H4	-2.007	0.667	0.927
H5	-2.007	0.667	-0.927
H6	0.399	1.339	-0.887
H7	0.399	1.339	0.887

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4736	2.7203	1.0785	1.0785	2.1394	2.1394
C2	1.4736		1.8248	2.2192	2.2192	1.0846	1.0846
Cl3	2.7203	1.8248		3.2335	3.2335	2.3566	2.3566
H4	1.0785	2.2192	3.2335		1.8535	3.0873	2.4985
H5	1.0785	2.2192	3.2335	1.8535		2.4985	3.0873
H6	2.1394	1.0846	2.3566	3.0873	2.4985		1.7745
H7	2.1394	1.0846	2.3566	2.4985	3.0873	1.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.671	C1	C2	H6	112.611
C1	C2	H7	112.611	C2	C1	H4	120.016
C2	C1	H5	120.016	Cl3	C2	H6	105.339
Cl3	C2	H7	105.339	H4	C1	H5	118.474

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

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

States and conformations

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