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	hartrees
Energy at 0K	-537.974897
Energy at 298.15K	-537.978496
HF Energy	-537.530872
Nuclear repulsion energy	94.299288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3268	3073	8.20
2	A	3190	2999	9.64
3	A	3148	2960	13.41
4	A	3064	2881	16.96
5	A	1488	1399	2.30
6	A	1473	1385	7.87
7	A	1421	1336	5.66
8	A	1319	1240	40.94
9	A	1140	1072	3.30
10	A	1052	989	16.54
11	A	1012	952	0.49
12	A	755	710	24.54
13	A	461	434	26.54
14	A	336	316	2.66
15	A	176	165	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.448	0.610	-0.087
C2	1.653	-0.270	0.011
Cl3	-1.116	-0.130	0.007
H4	0.464	1.658	0.219
H5	1.581	-1.114	-0.693
H6	2.560	0.310	-0.221
H7	1.767	-0.693	1.028

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4955	1.7325	1.0920	2.1507	2.1376	2.1640
C2	1.4955		2.7722	2.2746	1.1020	1.1015	1.1071
Cl3	1.7325	2.7722		2.3958	2.9553	3.7091	3.1097
H4	1.0920	2.2746	2.3958		3.1251	2.5304	2.8072
H5	2.1507	1.1020	2.9553	3.1251		1.7914	1.7817
H6	2.1376	1.1015	3.7091	2.5304	1.7914		1.7876
H7	2.1640	1.1071	3.1097	2.8072	1.7817	1.7876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.879	C1	C2	H6	109.864
C1	C2	H7	111.631	C2	C1	Cl3	118.175
C2	C1	H4	122.283	H5	C2	H6	108.775
H5	C2	H7	107.519	H6	C2	H7	108.071

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

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVDZ

States and conformations

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