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	hartrees
Energy at 0K	-537.956873
Energy at 298.15K	-537.960489
HF Energy	-537.509836
Nuclear repulsion energy	94.972851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3331	3331	9.39
2	A	3236	3236	11.85
3	A	3196	3196	15.69
4	A	3114	3114	16.34
5	A	1554	1554	2.21
6	A	1536	1536	6.88
7	A	1480	1480	5.15
8	A	1375	1375	42.29
9	A	1162	1162	2.66
10	A	1086	1086	16.75
11	A	1050	1050	0.46
12	A	770	770	24.97
13	A	456	456	26.90
14	A	341	341	3.42
15	A	176	176	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.444	0.602	-0.080
C2	1.647	-0.267	0.011
Cl3	-1.111	-0.128	0.007
H4	0.462	1.641	0.202
H5	1.580	-1.095	-0.690
H6	2.536	0.314	-0.220
H7	1.768	-0.689	1.011

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4866	1.7204	1.0762	2.1317	2.1162	2.1470
C2	1.4866		2.7615	2.2537	1.0874	1.0870	1.0922
Cl3	1.7204	2.7615		2.3752	2.9435	3.6808	3.1005
H4	1.0762	2.2537	2.3752		3.0873	2.4979	2.7906
H5	2.1317	1.0874	2.9435	3.0873		1.7666	1.7592
H6	2.1162	1.0870	3.6808	2.4979	1.7666		1.7641
H7	2.1470	1.0922	3.1005	2.7906	1.7592	1.7641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.868	C1	C2	H6	109.652
C1	C2	H7	111.817	C2	C1	Cl3	118.699
C2	C1	H4	122.321	H5	C2	H6	108.677
H5	C2	H7	107.626	H6	C2	H7	108.099

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

using model chemistry: MP3=FULL/6-31G**

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/6-31G**

States and conformations

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