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	hartrees
Energy at 0K	-535.128094
Energy at 298.15K	-535.131653
HF Energy	-534.884972
Nuclear repulsion energy	89.924900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3143	3046	2.79
2	A'	3132	3035	5.41
3	A'	1557	1509	1.48
4	A'	1526	1479	4.83
5	A'	1209	1172	4.26
6	A'	1069	1036	6.19
7	A'	707	685	63.90
8	A'	373	362	23.83
9	A'	283	274	13.84
10	A"	3248	3148	5.48
11	A"	3204	3105	0.36
12	A"	1290	1250	0.04
13	A"	1038	1006	0.27
14	A"	809	784	3.24
15	A"	328	318	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	-1.454	0.929	0.000
C2	0.000	0.988	0.000
Cl3	0.694	-0.933	0.000
H4	-1.997	0.802	0.933
H5	-1.997	0.802	-0.933
H6	0.460	1.374	-0.910
H7	0.460	1.374	0.910

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4551	2.8424	1.0873	1.0873	2.1656	2.1656
C2	1.4551		2.0426	2.2126	2.2126	1.0899	1.0899
Cl3	2.8424	2.0426		3.3356	3.3356	2.4907	2.4907
H4	1.0873	2.2126	3.3356		1.8664	3.1246	2.5236
H5	1.0873	2.2126	3.3356	1.8664		2.5236	3.1246
H6	2.1656	1.0899	2.4907	3.1246	2.5236		1.8191
H7	2.1656	1.0899	2.4907	2.5236	3.1246	1.8191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	107.519	C1	C2	H6	115.880
C1	C2	H7	115.880	C2	C1	H4	120.282
C2	C1	H5	120.282	Cl3	C2	H6	100.915
Cl3	C2	H7	100.915	H4	C1	H5	118.238

All results from a given calculation for CH₂CH₂Cl (2-chloroethyl radical)

using model chemistry: QCISD/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 CH2CH2Cl (2-chloroethyl radical)

using model chemistry: QCISD/3-21G

States and conformations

All results from a given calculation for CH₂CH₂Cl (2-chloroethyl radical)