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	hartrees
Energy at 0K	-537.911775
Energy at 298.15K	-537.915335
HF Energy	-537.502851
Nuclear repulsion energy	94.569782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3252	3096	9.40
2	A	3151	3001	12.89
3	A	3109	2961	16.42
4	A	3032	2887	18.43
5	A	1536	1463	2.96
6	A	1517	1445	7.96
7	A	1465	1396	6.00
8	A	1356	1292	38.39
9	A	1151	1096	2.29
10	A	1077	1025	17.64
11	A	1043	993	0.73
12	A	759	723	24.33
13	A	435	414	28.47
14	A	334	318	5.42
15	A	169	161	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.445	0.603	-0.077
C2	1.652	-0.267	0.010
Cl3	-1.115	-0.129	0.006
H4	0.460	1.654	0.194
H5	1.589	-1.098	-0.703
H6	2.549	0.322	-0.216
H7	1.775	-0.702	1.016

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4904	1.7260	1.0851	2.1435	2.1264	2.1602
C2	1.4904		2.7708	2.2685	1.0970	1.0963	1.1020
Cl3	1.7260	2.7708		2.3863	2.9591	3.6981	3.1149
H4	1.0851	2.2685	2.3863		3.1070	2.5113	2.8209
H5	2.1435	1.0970	2.9591	3.1070		1.7812	1.7733
H6	2.1264	1.0963	3.6981	2.5113	1.7812		1.7787
H7	2.1602	1.1020	3.1149	2.8209	1.7733	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.965	C1	C2	H6	109.644
C1	C2	H7	111.998	C2	C1	Cl3	118.781
C2	C1	H4	122.702	H5	C2	H6	108.609
H5	C2	H7	107.492	H6	C2	H7	108.018

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

using model chemistry: QCISD/6-31G*

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: QCISD/6-31G*

States and conformations

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