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	hartrees
Energy at 0K	-538.038861
Energy at 298.15K	-538.042401
HF Energy	-537.518575
Nuclear repulsion energy	94.814030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3270	3092	4.71
2	A	3174	3001	8.09
3	A	3133	2963	10.45
4	A	3056	2890	12.67
5	A	1516	1433	2.34
6	A	1500	1418	7.12
7	A	1440	1361	4.20
8	A	1326	1254	39.88
9	A	1136	1074	2.82
10	A	1057	1000	16.57
11	A	1023	967	0.76
12	A	754	713	22.97
13	A	428	404	23.60
14	A	330	312	4.26
15	A	163	154	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.443	0.606	-0.078
C2	1.647	-0.267	0.010
Cl3	-1.111	-0.130	0.006
H4	0.454	1.652	0.195
H5	1.580	-1.098	-0.696
H6	2.544	0.314	-0.217
H7	1.766	-0.697	1.013

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4901	1.7218	1.0805	2.1398	2.1252	2.1534
C2	1.4901		2.7621	2.2671	1.0925	1.0921	1.0975
Cl3	1.7218	2.7621		2.3788	2.9452	3.6885	3.1010
H4	1.0805	2.2671	2.3788		3.1020	2.5149	2.8116
H5	2.1398	1.0925	2.9452	3.1020		1.7755	1.7657
H6	2.1252	1.0921	3.6885	2.5149	1.7755		1.7715
H7	2.1534	1.0975	3.1010	2.8116	1.7657	1.7715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.962	C1	C2	H6	109.821
C1	C2	H7	111.759	C2	C1	Cl3	118.444
C2	C1	H4	122.961	H5	C2	H6	108.723
H5	C2	H7	107.459	H6	C2	H7	108.006

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

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

States and conformations

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