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	hartrees
Energy at 0K	-537.999393
Energy at 298.15K	-538.003078
HF Energy	-537.552013
Nuclear repulsion energy	94.204814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3018	4.57
2	A'	3170	2965	15.47
3	A'	1535	1436	0.15
4	A'	1502	1405	2.45
5	A'	1335	1249	28.46
6	A'	1111	1039	7.94
7	A'	704	659	100.48
8	A'	624	583	2.23
9	A'	315	294	10.99
10	A"	3340	3124	5.59
11	A"	3236	3026	4.79
12	A"	1301	1216	0.01
13	A"	1108	1037	1.24
14	A"	802	750	0.54
15	A"	223	209	2.38

Atom	x (Å)	y (Å)	z (Å)
C1	-1.471	0.817	0.000
C2	0.000	0.864	0.000
Cl3	0.708	-0.830	0.000
H4	-2.004	0.670	0.926
H5	-2.004	0.670	-0.926
H6	0.396	1.343	-0.888
H7	0.396	1.343	0.888

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4717	2.7318	1.0785	1.0785	2.1330	2.1330
C2	1.4717		1.8357	2.2160	2.2160	1.0841	1.0841
Cl3	2.7318	1.8357		3.2350	3.2350	2.3681	2.3681
H4	1.0785	2.2160	3.2350		1.8520	3.0825	2.4923
H5	1.0785	2.2160	3.2350	1.8520		2.4923	3.0825
H6	2.1330	1.0841	2.3681	3.0825	2.4923		1.7766
H7	2.1330	1.0841	2.3681	2.4923	3.0825	1.7766

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.895	C1	C2	H6	112.249
C1	C2	H7	112.249	C2	C1	H4	119.883
C2	C1	H5	119.883	Cl3	C2	H6	105.489
Cl3	C2	H7	105.489	H4	C1	H5	118.325

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

using model chemistry: MP3/TZVP

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/TZVP

States and conformations

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