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	hartrees
Energy at 0K	-537.904566
Energy at 298.15K	-537.908198
HF Energy	-537.499204
Nuclear repulsion energy	94.049312

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3018	4.90
2	A'	3137	2962	16.46
3	A'	1546	1460	1.00
4	A'	1509	1425	2.43
5	A'	1325	1252	22.04
6	A'	1115	1053	7.29
7	A'	689	650	99.32
8	A'	603	570	3.48
9	A'	316	298	10.99
10	A"	3302	3118	7.51
11	A"	3198	3020	5.23
12	A"	1302	1230	0.03
13	A"	1109	1047	1.12
14	A"	801	757	1.56
15	A"	214	202	1.72

Atom	x (Å)	y (Å)	z (Å)
C1	-1.477	0.815	0.000
C2	0.000	0.859	0.000
Cl3	0.711	-0.828	0.000
H4	-2.017	0.669	0.931
H5	-2.017	0.669	-0.931
H6	0.400	1.346	-0.892
H7	0.400	1.346	0.892

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4774	2.7360	1.0859	1.0859	2.1450	2.1450
C2	1.4774		1.8311	2.2292	2.2292	1.0918	1.0918
Cl3	2.7360	1.8311		3.2479	3.2479	2.3698	2.3698
H4	1.0859	2.2292	3.2479		1.8616	3.1019	2.5103
H5	1.0859	2.2292	3.2479	1.8616		2.5103	3.1019
H6	2.1450	1.0918	2.3698	3.1019	2.5103		1.7834
H7	2.1450	1.0918	2.3698	2.5103	3.1019	1.7834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	111.124	C1	C2	H6	112.342
C1	C2	H7	112.342	C2	C1	H4	120.071
C2	C1	H5	120.071	Cl3	C2	H6	105.540
Cl3	C2	H7	105.540	H4	C1	H5	118.004

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

using model chemistry: CCSD/6-31G*

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: CCSD/6-31G*

States and conformations

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