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	hartrees
Energy at 0K	-538.129454
Energy at 298.15K	-538.124208
HF Energy	-537.500012
Nuclear repulsion energy	94.218647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3314	3314	7.89
2	A'	3282	3282	23.01
3	A'	1632	1632	1.37
4	A'	1584	1584	1.15
5	A'	1396	1396	35.82
6	A'	1133	1133	8.96
7	A'	702	702	126.69
8	A'	612	612	2.22
9	A'	330	330	12.39
10	A"	3424	3424	11.32
11	A"	3348	3348	5.39
12	A"	1372	1372	0.12
13	A"	1163	1163	1.07
14	A"	833	833	0.89
15	A"	226	226	2.22

Atom	x (Å)	y (Å)	z (Å)
C1	-1.483	0.816	0.000
C2	0.000	0.859	0.000
Cl3	0.713	-0.825	0.000
H4	-2.012	0.652	0.923
H5	-2.012	0.652	-0.923
H6	0.401	1.335	-0.884
H7	0.401	1.335	0.884

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4833	2.7412	1.0771	1.0771	2.1441	2.1441
C2	1.4833		1.8282	2.2237	2.2237	1.0810	1.0810
Cl3	2.7412	1.8282		3.2347	3.2347	2.3547	2.3547
H4	1.0771	2.2237	3.2347		1.8466	3.0911	2.5082
H5	1.0771	2.2237	3.2347	1.8466		2.5082	3.0911
H6	2.1441	1.0810	2.3547	3.0911	2.5082		1.7673
H7	2.1441	1.0810	2.3547	2.5082	3.0911	1.7673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	111.321	C1	C2	H6	112.526
C1	C2	H7	112.526	C2	C1	H4	119.738
C2	C1	H5	119.738	Cl3	C2	H6	105.158
Cl3	C2	H7	105.158	H4	C1	H5	118.021

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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