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	hartrees
Energy at 0K	-538.628870
Energy at 298.15K	-538.632479
HF Energy	-538.423579
Nuclear repulsion energy	94.187605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3180	2.86
2	A'	3120	3120	9.81
3	A'	1517	1517	0.69
4	A'	1481	1481	3.92
5	A'	1260	1260	12.39
6	A'	1102	1102	9.28
7	A'	678	678	80.63
8	A'	565	565	21.87
9	A'	306	306	12.91
10	A"	3291	3291	2.78
11	A"	3184	3184	1.14
12	A"	1270	1270	0.35
13	A"	1072	1072	0.62
14	A"	790	790	0.95
15	A"	222	222	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	-1.459	0.820	0.000
C2	0.000	0.874	0.000
Cl3	0.701	-0.837	0.000
H4	-1.998	0.699	0.925
H5	-1.998	0.699	-0.925
H6	0.414	1.333	-0.890
H7	0.414	1.333	0.890

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4601	2.7222	1.0779	1.0779	2.1364	2.1364
C2	1.4601		1.8488	2.2091	2.2091	1.0835	1.0835
Cl3	2.7222	1.8488		3.2407	3.2407	2.3626	2.3626
H4	1.0779	2.2091	3.2407		1.8510	3.0849	2.4945
H5	1.0779	2.2091	3.2407	1.8510		2.4945	3.0849
H6	2.1364	1.0835	2.3626	3.0849	2.4945		1.7797
H7	2.1364	1.0835	2.3626	2.4945	3.0849	1.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.159	C1	C2	H6	113.433
C1	C2	H7	113.433	C2	C1	H4	120.266
C2	C1	H5	120.266	Cl3	C2	H6	104.303
Cl3	C2	H7	104.303	H4	C1	H5	118.329

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

using model chemistry: B2PLYP=FULL/6-311+G(3df,2p)

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: B2PLYP=FULL/6-311+G(3df,2p)

States and conformations

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