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	hartrees
Energy at 0K	-537.951192
Energy at 298.15K	-537.954810
HF Energy	-537.529315
Nuclear repulsion energy	93.704986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3208	3208
2	A'	3132	3132
3	A'	1498	1498
4	A'	1465	1465
5	A'	1254	1254
6	A'	1112	1112
7	A'	679	679
8	A'	601	601
9	A'	311	311
10	A"	3332	3332
11	A"	3208	3208
12	A"	1261	1261
13	A"	1068	1068
14	A"	780	780
15	A"	209	209

Atom	x (Å)	y (Å)	z (Å)
C1	-1.477	0.806	0.000
C2	0.000	0.873	0.000
Cl3	0.711	-0.831	0.000
H4	-2.018	0.677	0.937
H5	-2.018	0.677	-0.937
H6	0.408	1.347	-0.901
H7	0.408	1.347	0.901

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4788	2.7329	1.0899	1.0899	2.1586	2.1586
C2	1.4788		1.8462	2.2340	2.2340	1.0968	1.0968
Cl3	2.7329	1.8462		3.2561	3.2561	2.3758	2.3758
H4	1.0899	2.2340	3.2561		1.8746	3.1172	2.5177
H5	1.0899	2.2340	3.2561	1.8746		2.5177	3.1172
H6	2.1586	1.0968	2.3758	3.1172	2.5177		1.8021
H7	2.1586	1.0968	2.3758	2.5177	3.1172	1.8021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.064	C1	C2	H6	113.045
C1	C2	H7	113.045	C2	C1	H4	120.084
C2	C1	H5	120.084	Cl3	C2	H6	104.780
Cl3	C2	H7	104.780	H4	C1	H5	118.625

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

using model chemistry: ROMP2/aug-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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Number	Element	Mulliken
1	C	0.539
2	C	-0.193
3	Cl	-0.168
4	H	-0.149
5	H	-0.149
6	H	0.060
7	H	0.060

<r²>	74.570
(<r²>)^1/2	8.635

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

using model chemistry: ROMP2/aug-cc-pVDZ

States and conformations

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