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	hartrees
Energy at 0K	-535.119856
Energy at 298.15K	-535.123392
HF Energy	-534.879812
Nuclear repulsion energy	91.420977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3231	3142	5.09
2	A	3112	3026	7.35
3	A	3079	2994	10.39
4	A	3014	2930	8.99
5	A	1566	1523	4.38
6	A	1552	1509	9.45
7	A	1484	1443	8.05
8	A	1307	1271	51.64
9	A	1116	1085	3.55
10	A	1077	1047	4.25
11	A	1025	997	14.57
12	A	646	628	29.06
13	A	462	449	34.94
14	A	320	312	2.03
15	A	176	171	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.519	0.642	-0.097
C2	1.689	-0.294	0.014
Cl3	-1.162	-0.127	0.007
H4	0.526	1.668	0.254
H5	1.595	-1.116	-0.708
H6	2.618	0.256	-0.193
H7	1.762	-0.734	1.023

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.5026	1.8513	1.0845	2.1492	2.1363	2.1657
C2	1.5026		2.8561	2.2937	1.0981	1.0990	1.1028
Cl3	1.8513	2.8561		2.4761	3.0145	3.8045	3.1538
H4	1.0845	2.2937	2.4761		3.1332	2.5633	2.8085
H5	2.1492	1.0981	3.0145	3.1332		1.7874	1.7807
H6	2.1363	1.0990	3.8045	2.5633	1.7874		1.7862
H7	2.1657	1.1028	3.1538	2.8085	1.7807	1.7862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.495	C1	C2	H6	109.419
C1	C2	H7	111.530	C2	C1	Cl3	116.383
C2	C1	H4	124.098	H5	C2	H6	108.888
H5	C2	H7	108.004	H6	C2	H7	108.438

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

using model chemistry: CCD/3-21G

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/3-21G

States and conformations

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