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	hartrees
Energy at 0K	-538.496027
Energy at 298.15K	-538.499554
HF Energy	-538.368410
Nuclear repulsion energy	94.641278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3271	3103	8.75
2	A	3163	3000	11.79
3	A	3118	2957	14.92
4	A	3037	2881	18.86
5	A	1534	1455	2.79
6	A	1515	1437	8.07
7	A	1458	1383	4.91
8	A	1344	1275	42.69
9	A	1143	1084	3.18
10	A	1067	1012	21.92
11	A	1034	981	0.83
12	A	746	707	29.95
13	A	420	398	29.25
14	A	331	314	7.00
15	A	165	156	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.448	0.601	-0.075
C2	1.651	-0.266	0.010
Cl3	-1.116	-0.128	0.006
H4	0.458	1.650	0.188
H5	1.593	-1.095	-0.702
H6	2.545	0.323	-0.214
H7	1.778	-0.704	1.011

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4850	1.7278	1.0814	2.1397	2.1193	2.1557
C2	1.4850		2.7704	2.2636	1.0939	1.0931	1.0996
Cl3	1.7278	2.7704		2.3819	2.9619	3.6949	3.1167
H4	1.0814	2.2636	2.3819		3.1001	2.5050	2.8206
H5	2.1397	1.0939	2.9619	3.1001		1.7757	1.7662
H6	2.1193	1.0931	3.6949	2.5050	1.7757		1.7720
H7	2.1557	1.0996	3.1167	2.8206	1.7662	1.7720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.230	C1	C2	H6	109.650
C1	C2	H7	112.179	C2	C1	Cl3	118.967
C2	C1	H4	123.009	H5	C2	H6	108.566
H5	C2	H7	107.255	H6	C2	H7	107.824

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31G*

States and conformations

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