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	hartrees
Energy at 0K	-537.964779
Energy at 298.15K	-537.968383
HF Energy	-537.527187
Nuclear repulsion energy	93.580940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3048	4.30
2	A'	3123	2996	17.29
3	A'	1502	1441	0.25
4	A'	1465	1405	1.72
5	A'	1267	1216	19.78
6	A'	1102	1058	6.96
7	A'	667	640	86.37
8	A'	591	567	2.60
9	A'	306	294	10.87
10	A"	3291	3158	5.25
11	A"	3190	3061	5.28
12	A"	1262	1211	0.08
13	A"	1068	1024	0.95
14	A"	778	747	0.87
15	A"	217	208	1.45

Atom	x (Å)	y (Å)	z (Å)
C1	-1.483	0.811	0.000
C2	0.000	0.869	0.000
Cl3	0.714	-0.829	0.000
H4	-2.023	0.653	0.940
H5	-2.023	0.653	-0.940
H6	0.405	1.355	-0.900
H7	0.405	1.355	0.900

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4844	2.7421	1.0956	1.0956	2.1614	2.1614
C2	1.4844		1.8417	2.2410	2.2410	1.1005	1.1005
Cl3	2.7421	1.8417		3.2510	3.2510	2.3825	2.3825
H4	1.0956	2.2410	3.2510		1.8807	3.1264	2.5274
H5	1.0956	2.2410	3.2510	1.8807		2.5274	3.1264
H6	2.1614	1.1005	2.3825	3.1264	2.5274		1.8008
H7	2.1614	1.1005	2.3825	2.5274	3.1264	1.8008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.598	C1	C2	H6	112.622
C1	C2	H7	112.622	C2	C1	H4	119.835
C2	C1	H5	119.835	Cl3	C2	H6	105.351
Cl3	C2	H7	105.351	H4	C1	H5	118.253

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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