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	hartrees
Energy at 0K	-537.932463
Energy at 298.15K	-537.936094
HF Energy	-537.527441
Nuclear repulsion energy	94.085364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3063	3.39
2	A'	3147	2991	15.69
3	A'	1506	1431	0.22
4	A'	1472	1399	2.76
5	A'	1275	1211	19.87
6	A'	1118	1063	7.38
7	A'	695	661	80.72
8	A'	607	577	10.01
9	A'	309	294	11.18
10	A"	3347	3181	2.67
11	A"	3223	3063	3.88
12	A"	1271	1208	0.07
13	A"	1075	1022	0.93
14	A"	784	745	1.29
15	A"	213	202	1.54

Atom	x (Å)	y (Å)	z (Å)
C1	-1.479	0.804	0.000
C2	0.000	0.861	0.000
Cl3	0.712	-0.822	0.000
H4	-2.015	0.642	0.937
H5	-2.015	0.642	-0.937
H6	0.401	1.350	-0.897
H7	0.401	1.350	0.897

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4800	2.7281	1.0914	1.0914	2.1538	2.1538
C2	1.4800		1.8270	2.2329	2.2329	1.0981	1.0981
Cl3	2.7281	1.8270		3.2334	3.2334	2.3704	2.3704
H4	1.0914	2.2329	3.2334		1.8735	3.1152	2.5183
H5	1.0914	2.2329	3.2334	1.8735		2.5183	3.1152
H6	2.1538	1.0981	2.3704	3.1152	2.5183		1.7949
H7	2.1538	1.0981	2.3704	2.5183	3.1152	1.7949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.730	C1	C2	H6	112.477
C1	C2	H7	112.477	C2	C1	H4	119.770
C2	C1	H5	119.770	Cl3	C2	H6	105.541
Cl3	C2	H7	105.541	H4	C1	H5	118.249

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

using model chemistry: MP2=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: MP2=FULL/cc-pVDZ

States and conformations

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