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	hartrees
Energy at 0K	-538.571247
Energy at 298.15K
HF Energy	-538.416992
Nuclear repulsion energy	93.651497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3188	4.00
2	A'	3135	3135	13.21
3	A'	1520	1520	0.49
4	A'	1488	1488	4.24
5	A'	1282	1282	19.45
6	A'	1106	1106	8.71
7	A'	698	698	92.26
8	A'	556	556	27.79
9	A'	306	306	13.42
10	A"	3299	3299	4.64
11	A"	3202	3202	3.00
12	A"	1278	1278	0.02
13	A"	1080	1080	1.13
14	A"	799	799	1.17
15	A"	238	238	1.75

Atom	x (Å)	y (Å)	z (Å)
C1	-1.458	0.841	0.000
C2	0.000	0.883	0.000
Cl3	0.701	-0.850	0.000
H4	-1.998	0.718	0.926
H5	-1.998	0.718	-0.926
H6	0.416	1.339	-0.891
H7	0.416	1.339	0.891

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4586	2.7421	1.0790	1.0790	2.1340	2.1340
C2	1.4586		1.8691	2.2084	2.2084	1.0840	1.0840
Cl3	2.7421	1.8691		3.2556	3.2556	2.3806	2.3806
H4	1.0790	2.2084	3.2556		1.8520	3.0847	2.4930
H5	1.0790	2.2084	3.2556	1.8520		2.4930	3.0847
H6	2.1340	1.0840	2.3806	3.0847	2.4930		1.7819
H7	2.1340	1.0840	2.3806	2.4930	3.0847	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.370	C1	C2	H6	113.310
C1	C2	H7	113.310	C2	C1	H4	120.238
C2	C1	H5	120.238	Cl3	C2	H6	104.266
Cl3	C2	H7	104.266	H4	C1	H5	118.225

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

using model chemistry: B2PLYP=FULLultrafine/TZVP

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: B2PLYP=FULLultrafine/TZVP

States and conformations

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