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	hartrees
Energy at 0K	-538.029656
Energy at 298.15K	-538.033288
HF Energy	-537.514679
Nuclear repulsion energy	94.375888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3053	2.25
2	A'	3158	2991	10.71
3	A'	1529	1449	0.89
4	A'	1492	1413	1.90
5	A'	1298	1230	20.60
6	A'	1104	1046	7.72
7	A'	699	663	86.05
8	A'	608	575	9.01
9	A'	313	296	10.31
10	A"	3338	3162	2.25
11	A"	3224	3053	1.96
12	A"	1288	1220	0.15
13	A"	1090	1033	0.85
14	A"	789	747	1.19
15	A"	208	197	1.50

Atom	x (Å)	y (Å)	z (Å)
C1	-1.477	0.802	0.000
C2	0.000	0.859	0.000
Cl3	0.711	-0.821	0.000
H4	-2.010	0.654	0.928
H5	-2.010	0.654	-0.928
H6	0.400	1.341	-0.889
H7	0.400	1.341	0.889

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4777	2.7237	1.0808	1.0808	2.1455	2.1455
C2	1.4777		1.8240	2.2238	2.2238	1.0876	1.0876
Cl3	2.7237	1.8240		3.2313	3.2313	2.3580	2.3580
H4	1.0808	2.2238	3.2313		1.8562	3.0959	2.5069
H5	1.0808	2.2238	3.2313	1.8562		2.5069	3.0959
H6	2.1455	1.0876	2.3580	3.0959	2.5069		1.7779
H7	2.1455	1.0876	2.3580	2.5069	3.0959	1.7779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.728	C1	C2	H6	112.629
C1	C2	H7	112.629	C2	C1	H4	119.920
C2	C1	H5	119.920	Cl3	C2	H6	105.357
Cl3	C2	H7	105.357	H4	C1	H5	118.337

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

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

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