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	hartrees
Energy at 0K	-538.009177
Energy at 298.15K	-538.012725
HF Energy	-537.536312
Nuclear repulsion energy	94.102224

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3231	3231	7.23
2	A	3134	3134	12.49
3	A	3092	3092	14.29
4	A	3012	3012	18.45
5	A	1474	1474	2.23
6	A	1459	1459	7.39
7	A	1405	1405	4.89
8	A	1302	1302	41.01
9	A	1127	1127	2.96
10	A	1037	1037	14.31
11	A	1001	1001	0.45
12	A	735	735	25.10
13	A	436	436	23.94
14	A	328	328	3.37
15	A	171	171	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.452	0.614	-0.086
C2	1.655	-0.272	0.011
Cl3	-1.118	-0.130	0.007
H4	0.460	1.663	0.216
H5	1.591	-1.100	-0.713
H6	2.565	0.313	-0.195
H7	1.751	-0.716	1.022

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4969	1.7401	1.0916	2.1519	2.1371	2.1642
C2	1.4969		2.7763	2.2833	1.1025	1.1021	1.1077
Cl3	1.7401	2.7763		2.3977	2.9667	3.7153	3.0992
H4	1.0916	2.2833	2.3977		3.1273	2.5343	2.8242
H5	2.1519	1.1025	2.9667	3.1273		1.7931	1.7843
H6	2.1371	1.1021	3.7153	2.5343	1.7931		1.7897
H7	2.1642	1.1077	3.0992	2.8242	1.7843	1.7897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.842	C1	C2	H6	109.694
C1	C2	H7	111.516	C2	C1	Cl3	117.918
C2	C1	H4	123.029	H5	C2	H6	108.854
H5	C2	H7	107.670	H6	C2	H7	108.177

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

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

States and conformations

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