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	hartrees
Energy at 0K	-537.928803
Energy at 298.15K	-537.932441
HF Energy	-537.511507
Nuclear repulsion energy	95.178142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3318	3117	7.56
2	A	3229	3032	9.28
3	A	3183	2990	11.60
4	A	3092	2904	16.84
5	A	1534	1440	3.41
6	A	1513	1421	9.68
7	A	1463	1374	8.68
8	A	1367	1284	41.75
9	A	1159	1089	4.10
10	A	1081	1015	20.48
11	A	1040	976	0.49
12	A	772	725	27.16
13	A	464	436	31.52
14	A	344	323	3.48
15	A	184	173	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.442	0.602	-0.082
C2	1.641	-0.266	0.011
Cl3	-1.107	-0.128	0.007
H4	0.459	1.640	0.207
H5	1.577	-1.095	-0.692
H6	2.532	0.316	-0.215
H7	1.759	-0.692	1.012

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4834	1.7153	1.0776	2.1305	2.1140	2.1460
C2	1.4834		2.7522	2.2518	1.0886	1.0880	1.0939
Cl3	1.7153	2.7522		2.3706	2.9375	3.6735	3.0895
H4	1.0776	2.2518	2.3706		3.0882	2.4965	2.7891
H5	2.1305	1.0886	2.9375	3.0882		1.7688	1.7602
H6	2.1140	1.0880	3.6735	2.4965	1.7688		1.7661
H7	2.1460	1.0939	3.0895	2.7891	1.7602	1.7661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.926	C1	C2	H6	109.641
C1	C2	H7	111.864	C2	C1	Cl3	118.547
C2	C1	H4	122.319	H5	C2	H6	108.710
H5	C2	H7	107.514	H6	C2	H7	108.082

All results from a given calculation for CHClCH₃ (1-chloroethyl radical)

using model chemistry: MP2=FULL/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 CHClCH3 (1-chloroethyl radical)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for CHClCH₃ (1-chloroethyl radical)