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	hartrees
Energy at 0K	-538.032626
Energy at 298.15K	-538.036253
HF Energy	-537.514634
Nuclear repulsion energy	94.236131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3208	3034	2.40
2	A'	3152	2980	10.83
3	A'	1526	1443	0.84
4	A'	1487	1406	1.77
5	A'	1287	1217	18.63
6	A'	1102	1042	7.17
7	A'	680	643	93.23
8	A'	603	570	2.84
9	A'	310	293	10.67
10	A"	3321	3140	2.80
11	A"	3217	3042	2.00
12	A"	1282	1212	0.16
13	A"	1085	1026	0.83
14	A"	788	745	1.15
15	A"	217	205	1.44

Atom	x (Å)	y (Å)	z (Å)
C1	-1.474	0.806	0.000
C2	0.000	0.865	0.000
Cl3	0.709	-0.825	0.000
H4	-2.009	0.657	0.929
H5	-2.009	0.657	-0.929
H6	0.403	1.342	-0.890
H7	0.403	1.342	0.890

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4756	2.7251	1.0817	1.0817	2.1462	2.1462
C2	1.4756		1.8319	2.2227	2.2227	1.0877	1.0877
Cl3	2.7251	1.8319		3.2316	3.2316	2.3621	2.3621
H4	1.0817	2.2227	3.2316		1.8575	3.0977	2.5077
H5	1.0817	2.2227	3.2316	1.8575		2.5077	3.0977
H6	2.1462	1.0877	2.3621	3.0977	2.5077		1.7805
H7	2.1462	1.0877	2.3621	2.5077	3.0977	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.490	C1	C2	H6	112.832
C1	C2	H7	112.832	C2	C1	H4	119.927
C2	C1	H5	119.927	Cl3	C2	H6	105.133
Cl3	C2	H7	105.133	H4	C1	H5	118.320

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

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

States and conformations

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