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	hartrees
Energy at 0K	-537.940397
Energy at 298.15K	-537.944051
HF Energy	-537.508641
Nuclear repulsion energy	94.345183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3058	5.09
2	A'	3175	2992	15.79
3	A'	1548	1459	0.21
4	A'	1519	1432	2.56
5	A'	1344	1266	31.07
6	A'	1116	1052	8.76
7	A'	711	670	97.57
8	A'	617	582	8.69
9	A'	319	301	11.18
10	A"	3360	3166	5.87
11	A"	3242	3055	4.36
12	A"	1306	1230	0.01
13	A"	1117	1053	1.21
14	A"	802	756	0.75
15	A"	203	191	2.26

Atom	x (Å)	y (Å)	z (Å)
C1	-1.478	0.808	0.000
C2	0.000	0.854	0.000
Cl3	0.712	-0.823	0.000
H4	-2.014	0.668	0.927
H5	-2.014	0.668	-0.927
H6	0.392	1.343	-0.887
H7	0.392	1.343	0.887

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4785	2.7308	1.0796	1.0796	2.1376	2.1376
C2	1.4785		1.8219	2.2246	2.2246	1.0862	1.0862
Cl3	2.7308	1.8219		3.2424	3.2424	2.3623	2.3623
H4	1.0796	2.2246	3.2424		1.8531	3.0877	2.4992
H5	1.0796	2.2246	3.2424	1.8531		2.4992	3.0877
H6	2.1376	1.0862	2.3623	3.0877	2.4992		1.7744
H7	2.1376	1.0862	2.3623	2.4992	3.0877	1.7744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	111.238	C1	C2	H6	112.008
C1	C2	H7	112.008	C2	C1	H4	120.023
C2	C1	H5	120.023	Cl3	C2	H6	105.850
Cl3	C2	H7	105.850	H4	C1	H5	118.236

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

using model chemistry: CCD/6-31+G**

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/6-31+G**

States and conformations

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