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	hartrees
Energy at 0K	-537.987967
Energy at 298.15K	-537.991593
HF Energy	-537.509542
Nuclear repulsion energy	94.568805

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3241	3241
2	A'	3162	3162
3	A'	1522	1522
4	A'	1488	1488
5	A'	1285	1285
6	A'	1113	1113
7	A'	697	697
8	A'	613	613
9	A'	311	311
10	A"	3364	3364
11	A"	3234	3234
12	A"	1282	1282
13	A"	1086	1086
14	A"	788	788
15	A"	205	205

Atom	x (Å)	y (Å)	z (Å)
C1	-1.471	0.798	0.000
C2	0.000	0.859	0.000
Cl3	0.708	-0.820	0.000
H4	-2.006	0.659	0.927
H5	-2.006	0.659	-0.927
H6	0.402	1.339	-0.889
H7	0.402	1.339	0.889

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4721	2.7140	1.0794	1.0794	2.1423	2.1423
C2	1.4721		1.8219	2.2186	2.2186	1.0877	1.0877
Cl3	2.7140	1.8219		3.2261	3.2261	2.3549	2.3549
H4	1.0794	2.2186	3.2261		1.8544	3.0916	2.5018
H5	1.0794	2.2186	3.2261	1.8544		2.5018	3.0916
H6	2.1423	1.0877	2.3549	3.0916	2.5018		1.7790
H7	2.1423	1.0877	2.3549	2.5018	3.0916	1.7790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.510	C1	C2	H6	112.772
C1	C2	H7	112.772	C2	C1	H4	120.016
C2	C1	H5	120.016	Cl3	C2	H6	105.264
Cl3	C2	H7	105.264	H4	C1	H5	118.405

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

using model chemistry: ROMP2/6-31G(2df,p)

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	-0.295
2	C	-0.205
3	Cl	-0.205
4	H	0.169
5	H	0.169
6	H	0.184
7	H	0.184

<r²>	73.287
(<r²>)^1/2	8.561

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

using model chemistry: ROMP2/6-31G(2df,p)

States and conformations

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