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	hartrees
Energy at 0K	-535.286915
Energy at 298.15K	-535.290551
HF Energy	-534.986759
Nuclear repulsion energy	93.228608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3003	4.27
2	A'	3174	2966	10.56
3	A'	1587	1483	4.45
4	A'	1550	1448	1.77
5	A'	1339	1251	14.15
6	A'	1058	988	6.17
7	A'	659	615	103.39
8	A'	567	529	10.37
9	A'	322	301	12.12
10	A"	3323	3105	6.02
11	A"	3233	3021	1.95
12	A"	1337	1250	0.13
13	A"	1121	1047	0.68
14	A"	824	770	2.98
15	A"	226	211	1.64

Atom	x (Å)	y (Å)	z (Å)
C1	-1.485	0.822	0.000
C2	0.000	0.883	0.000
Cl3	0.714	-0.840	0.000
H4	-2.018	0.674	0.930
H5	-2.018	0.674	-0.930
H6	0.403	1.354	-0.893
H7	0.403	1.354	0.893

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4864	2.7571	1.0817	1.0817	2.1552	2.1552
C2	1.4864		1.8652	2.2314	2.2314	1.0871	1.0871
Cl3	2.7571	1.8652		3.2591	3.2591	2.3893	2.3893
H4	1.0817	2.2314	3.2591		1.8596	3.1054	2.5143
H5	1.0817	2.2314	3.2591	1.8596		2.5143	3.1054
H6	2.1552	1.0871	2.3893	3.1054	2.5143		1.7863
H7	2.1552	1.0871	2.3893	2.5143	3.1054	1.7863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.182	C1	C2	H6	112.821
C1	C2	H7	112.821	C2	C1	H4	119.830
C2	C1	H5	119.830	Cl3	C2	H6	104.971
Cl3	C2	H7	104.971	H4	C1	H5	118.547

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

using model chemistry: CISD/3-21G*

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: CISD/3-21G*

States and conformations

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