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	hartrees
Energy at 0K	-538.121024
Energy at 298.15K	-538.124546
HF Energy	-537.570141
Nuclear repulsion energy	94.970091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3247	3056	5.95
2	A	3139	2955	11.63
3	A	3096	2914	13.48
4	A	3022	2845	17.80
5	A	1504	1415	2.41
6	A	1488	1400	7.65
7	A	1429	1345	4.88
8	A	1324	1247	38.76
9	A	1133	1067	2.81
10	A	1055	993	14.96
11	A	1019	959	0.67
12	A	750	706	23.04
13	A	407	383	23.36
14	A	326	307	6.62
15	A	162	153	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.444	0.604	-0.072
C2	1.645	-0.267	0.009
Cl3	-1.110	-0.129	0.006
H4	0.457	1.652	0.180
H5	1.583	-1.085	-0.708
H6	2.541	0.317	-0.202
H7	1.757	-0.711	1.004

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4861	1.7195	1.0776	2.1347	2.1208	2.1475
C2	1.4861		2.7587	2.2631	1.0904	1.0896	1.0954
Cl3	1.7195	2.7587		2.3780	2.9459	3.6838	3.0911
H4	1.0776	2.2631	2.3780		3.0901	2.5045	2.8200
H5	2.1347	1.0904	2.9459	3.0901		1.7716	1.7617
H6	2.1208	1.0896	3.6838	2.5045	1.7716		1.7681
H7	2.1475	1.0954	3.0911	2.8200	1.7617	1.7681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.967	C1	C2	H6	109.902
C1	C2	H7	111.696	C2	C1	Cl3	118.583
C2	C1	H4	123.166	H5	C2	H6	108.711
H5	C2	H7	107.412	H6	C2	H7	108.042

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

using model chemistry: CCSD/cc-pVTZ

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: CCSD/cc-pVTZ

States and conformations

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