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	hartrees
Energy at 0K	-538.009212
Energy at 298.15K	-538.012827
HF Energy	-537.554057
Nuclear repulsion energy	94.575970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3256	3107	8.93
2	A	3151	3007	14.20
3	A	3109	2968	16.38
4	A	3032	2893	20.34
5	A	1508	1440	2.28
6	A	1487	1419	8.10
7	A	1448	1382	4.18
8	A	1342	1281	41.52
9	A	1136	1084	2.64
10	A	1061	1012	16.64
11	A	1035	988	1.01
12	A	745	711	27.32
13	A	458	438	26.89
14	A	339	324	2.90
15	A	183	175	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.452	0.608	-0.083
C2	1.649	-0.270	0.011
Cl3	-1.115	-0.128	0.007
H4	0.467	1.646	0.210
H5	1.582	-1.099	-0.696
H6	2.547	0.308	-0.211
H7	1.759	-0.700	1.014

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4870	1.7342	1.0795	2.1365	2.1201	2.1495
C2	1.4870		2.7680	2.2601	1.0916	1.0913	1.0970
Cl3	1.7342	2.7680		2.3869	2.9516	3.6951	3.0987
H4	1.0795	2.2601	2.3869		3.0985	2.5086	2.7960
H5	2.1365	1.0916	2.9516	3.0985		1.7742	1.7651
H6	2.1201	1.0913	3.6951	2.5086	1.7742		1.7721
H7	2.1495	1.0970	3.0987	2.7960	1.7651	1.7721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.969	C1	C2	H6	109.678
C1	C2	H7	111.692	C2	C1	Cl3	118.274
C2	C1	H4	122.636	H5	C2	H6	108.732
H5	C2	H7	107.509	H6	C2	H7	108.159

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

using model chemistry: CCSD/TZVP

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/TZVP

States and conformations

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