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	hartrees
Energy at 0K	-532.482970
Energy at 298.15K	-532.486466
HF Energy	-532.448456
Nuclear repulsion energy	92.344085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3440	3440	1.26
2	A'	3386	3386	0.29
3	A'	1649	1649	1.14
4	A'	1601	1601	0.52
5	A'	1365	1365	12.63
6	A'	1147	1147	5.58
7	A'	764	764	35.65
8	A'	569	569	15.52
9	A'	311	311	8.15
10	A"	3615	3615	0.15
11	A"	3510	3510	0.09
12	A"	1359	1359	1.27
13	A"	1140	1140	0.00
14	A"	827	827	0.81
15	A"	245	245	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	-1.503	0.843	0.000
C2	0.000	0.880	0.000
Cl3	0.722	-0.848	0.000
H4	-2.038	0.670	0.940
H5	-2.038	0.670	-0.940
H6	0.409	1.366	-0.904
H7	0.409	1.366	0.904

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.5032	2.7945	1.0951	1.0951	2.1783	2.1783
C2	1.5032		1.8731	2.2540	2.2540	1.1048	1.1048
Cl3	2.7945	1.8731		3.2872	3.2872	2.4120	2.4120
H4	1.0951	2.2540	3.2872		1.8790	3.1417	2.5441
H5	1.0951	2.2540	3.2872	1.8790		2.5441	3.1417
H6	2.1783	1.1048	2.4120	3.1417	2.5441		1.8084
H7	2.1783	1.1048	2.4120	2.5441	3.1417	1.8084

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	111.254	C1	C2	H6	112.384
C1	C2	H7	112.384	C2	C1	H4	119.511
C2	C1	H5	119.511	Cl3	C2	H6	105.250
Cl3	C2	H7	105.250	H4	C1	H5	118.177

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

using model chemistry: B2PLYP=FULL/STO-3G

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/STO-3G

States and conformations

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