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	hartrees
Energy at 0K	-538.063166
Energy at 298.15K	-538.066825
HF Energy	-537.514745
Nuclear repulsion energy	94.689177

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3252	3252	1.92
2	A'	3187	3187	9.48
3	A'	1541	1541	1.09
4	A'	1500	1500	2.21
5	A'	1303	1303	19.34
6	A'	1119	1119	7.59
7	A'	702	702	85.98
8	A'	613	613	9.35
9	A'	315	315	10.91
10	A"	3367	3367	1.79
11	A"	3252	3252	1.55
12	A"	1301	1301	0.15
13	A"	1098	1098	0.87
14	A"	796	796	1.34
15	A"	217	217	1.58

Atom	x (Å)	y (Å)	z (Å)
C1	-1.472	0.797	0.000
C2	0.000	0.857	0.000
Cl3	0.708	-0.817	0.000
H4	-2.003	0.644	0.925
H5	-2.003	0.644	-0.925
H6	0.398	1.339	-0.886
H7	0.398	1.339	0.886

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4730	2.7130	1.0779	1.0779	2.1384	2.1384
C2	1.4730		1.8184	2.2168	2.2168	1.0841	1.0841
Cl3	2.7130	1.8184		3.2160	3.2160	2.3523	2.3523
H4	1.0779	2.2168	3.2160		1.8503	3.0867	2.4998
H5	1.0779	2.2168	3.2160	1.8503		2.4998	3.0867
H6	2.1384	1.0841	2.3523	3.0867	2.4998		1.7719
H7	2.1384	1.0841	2.3523	2.4998	3.0867	1.7719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.593	C1	C2	H6	112.612
C1	C2	H7	112.612	C2	C1	H4	119.895
C2	C1	H5	119.895	Cl3	C2	H6	105.469
Cl3	C2	H7	105.469	H4	C1	H5	118.240

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G(2df,p)

States and conformations

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