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	hartrees
Energy at 0K	-532.490427
Energy at 298.15K	-532.493926
HF Energy	-532.456009
Nuclear repulsion energy	92.155058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3525	3525	0.33
2	A	3487	3487	0.01
3	A	3470	3470	0.95
4	A	3332	3332	0.02
5	A	1688	1688	2.40
6	A	1676	1676	4.57
7	A	1582	1582	1.53
8	A	1408	1408	57.51
9	A	1198	1198	6.19
10	A	1129	1129	10.74
11	A	1110	1110	8.08
12	A	800	800	20.14
13	A	567	567	12.39
14	A	329	329	1.75
15	A	154	154	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.476	0.631	-0.116
C2	1.690	-0.283	0.016
Cl3	-1.147	-0.130	0.009
H4	0.500	1.651	0.298
H5	1.599	-1.153	-0.652
H6	2.598	0.281	-0.253
H7	1.808	-0.654	1.050

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.5248	1.7975	1.1020	2.1744	2.1542	2.1870
C2	1.5248		2.8417	2.2888	1.1008	1.1014	1.1050
Cl3	1.7975	2.8417		2.4434	3.0042	3.7765	3.1767
H4	1.1020	2.2888	2.4434		3.1585	2.5660	2.7554
H5	2.1744	1.1008	3.0042	3.1585		1.7920	1.7859
H6	2.1542	1.1014	3.7765	2.5660	1.7920		1.7875
H7	2.1870	1.1050	3.1767	2.7554	1.7859	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.787	C1	C2	H6	109.159
C1	C2	H7	111.539	C2	C1	Cl3	117.356
C2	C1	H4	120.370	H5	C2	H6	108.932
H5	C2	H7	108.129	H6	C2	H7	108.222

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

using model chemistry: B2PLYP=FULL/STO-3G

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/STO-3G

States and conformations

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