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	hartrees
Energy at 0K	-538.005326
Energy at 298.15K	-538.008937
HF Energy	-537.534000
Nuclear repulsion energy	93.457279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3174	3.92
2	A'	3120	3120	12.87
3	A'	1499	1499	0.05
4	A'	1465	1465	2.37
5	A'	1255	1255	17.40
6	A'	1103	1103	8.26
7	A'	664	664	88.16
8	A'	582	582	6.73
9	A'	308	308	11.77
10	A"	3289	3289	4.87
11	A"	3188	3188	2.41
12	A"	1259	1259	0.30
13	A"	1064	1064	0.77
14	A"	778	778	0.54
15	A"	222	222	1.43

Atom	x (Å)	y (Å)	z (Å)
C1	-1.480	0.810	0.000
C2	0.000	0.879	0.000
Cl3	0.712	-0.833	0.000
H4	-2.020	0.667	0.939
H5	-2.020	0.667	-0.939
H6	0.409	1.351	-0.902
H7	0.409	1.351	0.902

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4817	2.7396	1.0921	1.0921	2.1621	2.1621
C2	1.4817		1.8543	2.2374	2.2374	1.0971	1.0971
Cl3	2.7396	1.8543		3.2552	3.2552	2.3825	2.3825
H4	1.0921	2.2374	3.2552		1.8774	3.1232	2.5235
H5	1.0921	2.2374	3.2552	1.8774		2.5235	3.1232
H6	2.1621	1.0971	2.3825	3.1232	2.5235		1.8039
H7	2.1621	1.0971	2.3825	2.5235	3.1232	1.8039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.906	C1	C2	H6	113.104
C1	C2	H7	113.104	C2	C1	H4	119.987
C2	C1	H5	119.987	Cl3	C2	H6	104.725
Cl3	C2	H7	104.725	H4	C1	H5	118.517

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

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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: CCSD=FULL/aug-cc-pVDZ

States and conformations

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