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	hartrees
Energy at 0K	-535.956329
Energy at 298.15K	-535.959782
HF Energy	-535.853081
Nuclear repulsion energy	94.216553

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3265	3265	5.46
2	A	3147	3147	8.83
3	A	3103	3103	11.28
4	A	3032	3032	12.86
5	A	1572	1572	4.40
6	A	1555	1555	10.51
7	A	1484	1484	7.73
8	A	1344	1344	37.66
9	A	1131	1131	4.10
10	A	1068	1068	6.86
11	A	1053	1053	19.31
12	A	709	709	31.13
13	A	381	381	21.49
14	A	320	320	23.74
15	A	152	152	1.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.452	0.608	-0.065
C2	1.659	-0.270	0.009
Cl3	-1.121	-0.129	0.005
H4	0.468	1.663	0.165
H5	1.593	-1.085	-0.720
H6	2.556	0.318	-0.202
H7	1.773	-0.724	1.003

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4946	1.7385	1.0793	2.1438	2.1282	2.1593
C2	1.4946		2.7829	2.2757	1.0944	1.0932	1.0994
Cl3	1.7385	2.7829		2.3999	2.9667	3.7094	3.1180
H4	1.0793	2.2757	2.3999		3.0977	2.5106	2.8466
H5	2.1438	1.0944	2.9667	3.0977		1.7781	1.7694
H6	2.1282	1.0932	3.7094	2.5106	1.7781		1.7755
H7	2.1593	1.0994	3.1180	2.8466	1.7694	1.7755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.853	C1	C2	H6	109.676
C1	C2	H7	111.796	C2	C1	Cl3	118.613
C2	C1	H4	123.498	H5	C2	H6	108.747
H5	C2	H7	107.524	H6	C2	H7	108.145

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/3-21G*

States and conformations

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