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	hartrees
Energy at 0K	-537.964299
Energy at 298.15K	-537.967906
HF Energy	-537.527203
Nuclear repulsion energy	93.614855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3011	4.17
2	A'	3125	2960	17.16
3	A'	1503	1424	0.27
4	A'	1465	1388	1.74
5	A'	1270	1203	20.01
6	A'	1103	1044	6.97
7	A'	671	635	85.19
8	A'	593	561	3.23
9	A'	307	291	10.67
10	A"	3292	3119	5.14
11	A"	3192	3024	5.15
12	A"	1263	1197	0.09
13	A"	1069	1013	0.96
14	A"	779	738	0.88
15	A"	215	204	1.45

Atom	x (Å)	y (Å)	z (Å)
C1	-1.484	0.811	0.000
C2	0.000	0.867	0.000
Cl3	0.714	-0.828	0.000
H4	-2.023	0.653	0.940
H5	-2.023	0.653	-0.940
H6	0.404	1.354	-0.900
H7	0.404	1.354	0.900

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4847	2.7418	1.0955	1.0955	2.1609	2.1609
C2	1.4847		1.8399	2.2412	2.2412	1.1004	1.1004
Cl3	2.7418	1.8399		3.2514	3.2514	2.3813	2.3813
H4	1.0955	2.2412	3.2514		1.8806	3.1258	2.5269
H5	1.0955	2.2412	3.2514	1.8806		2.5269	3.1258
H6	2.1609	1.1004	2.3813	3.1258	2.5269		1.8002
H7	2.1609	1.1004	2.3813	2.5269	3.1258	1.8002

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.667	C1	C2	H6	112.575
C1	C2	H7	112.575	C2	C1	H4	119.837
C2	C1	H5	119.837	Cl3	C2	H6	105.390
Cl3	C2	H7	105.390	H4	C1	H5	118.263

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

using model chemistry: CCSD/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: CCSD/cc-pVDZ

States and conformations

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