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	hartrees
Energy at 0K	-538.035408
Energy at 298.15K	-538.038962
HF Energy	-537.518605
Nuclear repulsion energy	94.859131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3283	3110	4.49
2	A	3187	3019	7.06
3	A	3148	2981	9.33
4	A	3069	2907	11.42
5	A	1519	1439	2.42
6	A	1504	1424	7.38
7	A	1444	1368	4.72
8	A	1332	1261	40.21
9	A	1139	1079	2.70
10	A	1061	1005	17.07
11	A	1025	971	0.68
12	A	757	717	23.12
13	A	434	411	23.74
14	A	332	315	3.81
15	A	165	156	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.443	0.606	-0.079
C2	1.647	-0.267	0.010
Cl3	-1.111	-0.130	0.007
H4	0.455	1.650	0.198
H5	1.580	-1.097	-0.696
H6	2.543	0.313	-0.215
H7	1.762	-0.696	1.013

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4899	1.7210	1.0799	2.1388	2.1251	2.1516
C2	1.4899		2.7607	2.2654	1.0919	1.0916	1.0967
Cl3	1.7210	2.7607		2.3778	2.9440	3.6872	3.0965
H4	1.0799	2.2654	2.3778		3.1002	2.5139	2.8071
H5	2.1388	1.0919	2.9440	3.1002		1.7746	1.7651
H6	2.1251	1.0916	3.6872	2.5139	1.7746		1.7708
H7	2.1516	1.0967	3.0965	2.8071	1.7651	1.7708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.929	C1	C2	H6	109.855
C1	C2	H7	111.673	C2	C1	Cl3	118.404
C2	C1	H4	122.850	H5	C2	H6	108.726
H5	C2	H7	107.511	H6	C2	H7	108.040

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

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

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