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	hartrees
Energy at 0K	-538.060714
Energy at 298.15K	-538.064341
HF Energy	-537.553660
Nuclear repulsion energy	94.836344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3209	3209
2	A'	3130	3130
3	A'	1520	1520
4	A'	1485	1485
5	A'	1282	1282
6	A'	1108	1108
7	A'	701	701
8	A'	614	614
9	A'	313	313
10	A"	3330	3330
11	A"	3200	3200
12	A"	1279	1279
13	A"	1084	1084
14	A"	788	788
15	A"	199	199

Atom	x (Å)	y (Å)	z (Å)
C1	-1.468	0.791	0.000
C2	0.000	0.855	0.000
Cl3	0.707	-0.816	0.000
H4	-2.003	0.666	0.927
H5	-2.003	0.666	-0.927
H6	0.398	1.335	-0.888
H7	0.398	1.335	0.888

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4691	2.7040	1.0777	1.0777	2.1372	2.1372
C2	1.4691		1.8151	2.2154	2.2154	1.0855	1.0855
Cl3	2.7040	1.8151		3.2251	3.2251	2.3483	2.3483
H4	1.0777	2.2154	3.2251		1.8537	3.0840	2.4934
H5	1.0777	2.2154	3.2251	1.8537		2.4934	3.0840
H6	2.1372	1.0855	2.3483	3.0840	2.4934		1.7769
H7	2.1372	1.0855	2.3483	2.4934	3.0840	1.7769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.399	C1	C2	H6	112.706
C1	C2	H7	112.706	C2	C1	H4	120.103
C2	C1	H5	120.103	Cl3	C2	H6	105.325
Cl3	C2	H7	105.325	H4	C1	H5	118.635

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

using model chemistry: ROMP2/6-311+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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Number	Element	Mulliken
1	C	-0.100
2	C	-0.297
3	Cl	-0.233
4	H	0.150
5	H	0.150
6	H	0.165
7	H	0.165

<r²>	73.217
(<r²>)^1/2	8.557

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

using model chemistry: ROMP2/6-311+G(3df,2p)

States and conformations

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