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	hartrees
Energy at 0K	-535.324155
Energy at 298.15K	-535.327641
HF Energy	-534.989130
Nuclear repulsion energy	93.674349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3208	3083	6.51
2	A	3097	2976	10.57
3	A	3059	2940	13.35
4	A	2993	2876	13.36
5	A	1566	1505	3.75
6	A	1550	1489	8.67
7	A	1479	1421	6.06
8	A	1344	1292	34.92
9	A	1121	1078	4.33
10	A	1068	1026	1.75
11	A	1035	995	16.94
12	A	702	675	25.09
13	A	401	385	27.07
14	A	328	315	9.86
15	A	160	153	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.452	0.615	-0.073
C2	1.669	-0.273	0.010
Cl3	-1.126	-0.131	0.006
H4	0.470	1.669	0.185
H5	1.598	-1.095	-0.717
H6	2.570	0.317	-0.209
H7	1.781	-0.719	1.014

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.5091	1.7469	1.0853	2.1566	2.1430	2.1739
C2	1.5091		2.7989	2.2889	1.0996	1.0990	1.1041
Cl3	1.7469	2.7989		2.4121	2.9786	3.7291	3.1326
H4	1.0853	2.2889	2.4121		3.1181	2.5278	2.8468
H5	2.1566	1.0996	2.9786	3.1181		1.7879	1.7814
H6	2.1430	1.0990	3.7291	2.5278	1.7879		1.7866
H7	2.1739	1.1041	3.1326	2.8468	1.7814	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.538	C1	C2	H6	109.507
C1	C2	H7	111.654	C2	C1	Cl3	118.367
C2	C1	H4	122.998	H5	C2	H6	108.818
H5	C2	H7	107.869	H6	C2	H7	108.379

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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