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	hartrees
Energy at 0K	-537.985886
Energy at 298.15K	-537.989481
HF Energy	-537.527115
Nuclear repulsion energy	93.465808

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3167	3037
2	A'	3111	2983
3	A'	1494	1433
4	A'	1457	1397
5	A'	1252	1201
6	A'	1099	1053
7	A'	657	630
8	A'	583	560
9	A'	303	290
10	A"	3283	3148
11	A"	3180	3050
12	A"	1253	1202
13	A"	1058	1014
14	A"	773	742
15	A"	224	215

Atom	x (Å)	y (Å)	z (Å)
C1	-1.482	0.813	0.000
C2	0.000	0.873	0.000
Cl3	0.713	-0.832	0.000
H4	-2.021	0.653	0.941
H5	-2.021	0.653	-0.941
H6	0.407	1.357	-0.902
H7	0.407	1.357	0.902

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4832	2.7431	1.0960	1.0960	2.1623	2.1623
C2	1.4832		1.8481	2.2401	2.2401	1.1010	1.1010
Cl3	2.7431	1.8481		3.2505	3.2505	2.3867	2.3867
H4	1.0960	2.2401	3.2505		1.8812	3.1279	2.5281
H5	1.0960	2.2401	3.2505	1.8812		2.5281	3.1279
H6	2.1623	1.1010	2.3867	3.1279	2.5281		1.8033
H7	2.1623	1.1010	2.3867	2.5281	3.1279	1.8033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.384	C1	C2	H6	112.759
C1	C2	H7	112.759	C2	C1	H4	119.833
C2	C1	H5	119.833	Cl3	C2	H6	105.224
Cl3	C2	H7	105.224	H4	C1	H5	118.241

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

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/cc-pVDZ

States and conformations

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