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	hartrees
Energy at 0K	-537.990386
Energy at 298.15K	-537.994003
HF Energy	-537.534006
Nuclear repulsion energy	93.523355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	3069	3.70
2	A'	3118	3008	13.19
3	A'	1500	1447	0.05
4	A'	1468	1416	2.47
5	A'	1268	1223	19.95
6	A'	1102	1063	9.12
7	A'	676	652	91.83
8	A'	597	576	3.20
9	A'	311	300	11.17
10	A"	3299	3182	4.33
11	A"	3186	3073	2.64
12	A"	1264	1219	0.28
13	A"	1071	1033	0.79
14	A"	779	751	0.57
15	A"	210	203	1.48

Atom	x (Å)	y (Å)	z (Å)
C1	-1.484	0.809	0.000
C2	0.000	0.872	0.000
Cl3	0.714	-0.831	0.000
H4	-2.025	0.669	0.939
H5	-2.025	0.669	-0.939
H6	0.406	1.350	-0.901
H7	0.406	1.350	0.901

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4855	2.7425	1.0923	1.0923	2.1629	2.1629
C2	1.4855		1.8461	2.2409	2.2409	1.0980	1.0980
Cl3	2.7425	1.8461		3.2609	3.2609	2.3793	2.3793
H4	1.0923	2.2409	3.2609		1.8776	3.1238	2.5247
H5	1.0923	2.2409	3.2609	1.8776		2.5247	3.1238
H6	2.1629	1.0980	2.3793	3.1238	2.5247		1.8021
H7	2.1629	1.0980	2.3793	2.5247	3.1238	1.8021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.341	C1	C2	H6	112.837
C1	C2	H7	112.837	C2	C1	H4	119.992
C2	C1	H5	119.992	Cl3	C2	H6	104.971
Cl3	C2	H7	104.971	H4	C1	H5	118.521

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

using model chemistry: CCD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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