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	hartrees
Energy at 0K	-538.544063
Energy at 298.15K	-538.547542
HF Energy	-538.400957
Nuclear repulsion energy	94.345679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3244	3121	5.59
2	A	3138	3019	10.90
3	A	3090	2972	12.63
4	A	3008	2894	19.16
5	A	1465	1409	2.75
6	A	1446	1390	8.46
7	A	1394	1341	6.70
8	A	1296	1247	41.21
9	A	1125	1082	4.22
10	A	1033	994	17.77
11	A	992	954	0.39
12	A	730	702	28.17
13	A	393	378	21.45
14	A	320	308	9.47
15	A	162	156	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.453	0.606	-0.074
C2	1.652	-0.269	0.010
Cl3	-1.118	-0.129	0.006
H4	0.457	1.662	0.184
H5	1.599	-1.086	-0.724
H6	2.556	0.324	-0.187
H7	1.758	-0.730	1.008

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4865	1.7365	1.0873	2.1442	2.1239	2.1576
C2	1.4865		2.7739	2.2778	1.0991	1.0981	1.1047
Cl3	1.7365	2.7739		2.3915	2.9719	3.7063	3.1040
H4	1.0873	2.2778	2.3915		3.1114	2.5164	2.8445
H5	2.1442	1.0991	2.9719	3.1114		1.7861	1.7751
H6	2.1239	1.0981	3.7063	2.5164	1.7861		1.7819
H7	2.1576	1.1047	3.1040	2.8445	1.7751	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.167	C1	C2	H6	109.604
C1	C2	H7	111.903	C2	C1	Cl3	118.577
C2	C1	H4	123.768	H5	C2	H6	108.762
H5	C2	H7	107.313	H6	C2	H7	107.977

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CHClCH3 (1-chloroethyl radical)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

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