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	hartrees
Energy at 0K	-537.983512
Energy at 298.15K	-537.987116
HF Energy	-537.527198
Nuclear repulsion energy	93.621294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3185	3074
2	A'	3113	3005
3	A'	1497	1445
4	A'	1463	1412
5	A'	1261	1217
6	A'	1103	1064
7	A'	673	649
8	A'	597	576
9	A'	305	294
10	A"	3302	3187
11	A"	3184	3073
12	A"	1258	1214
13	A"	1062	1025
14	A"	775	748
15	A"	215	208

Atom	x (Å)	y (Å)	z (Å)
C1	-1.483	0.812	0.000
C2	0.000	0.867	0.000
Cl3	0.714	-0.829	0.000
H4	-2.022	0.650	0.939
H5	-2.022	0.650	-0.939
H6	0.403	1.356	-0.900
H7	0.403	1.356	0.900

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4842	2.7418	1.0949	1.0949	2.1602	2.1602
C2	1.4842		1.8398	2.2402	2.2402	1.1011	1.1011
Cl3	2.7418	1.8398		3.2488	3.2488	2.3832	2.3832
H4	1.0949	2.2402	3.2488		1.8786	3.1251	2.5266
H5	1.0949	2.2402	3.2488	1.8786		2.5266	3.1251
H6	2.1602	1.1011	2.3832	3.1251	2.5266		1.8006
H7	2.1602	1.1011	2.3832	2.5266	3.1251	1.8006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.691	C1	C2	H6	112.506
C1	C2	H7	112.506	C2	C1	H4	119.830
C2	C1	H5	119.830	Cl3	C2	H6	105.493
Cl3	C2	H7	105.493	H4	C1	H5	118.154

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

using model chemistry: MP4=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: MP4=FULL/cc-pVDZ

States and conformations

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