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	hartrees
Energy at 0K	-537.905238
Energy at 298.15K	-537.908867
HF Energy	-537.499180
Nuclear repulsion energy	94.002223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3041	5.14
2	A'	3133	2984	16.82
3	A'	1545	1471	0.93
4	A'	1508	1436	2.40
5	A'	1323	1260	21.87
6	A'	1114	1061	7.28
7	A'	685	652	100.85
8	A'	601	572	2.70
9	A'	315	300	11.18
10	A"	3299	3142	7.79
11	A"	3195	3043	5.50
12	A"	1301	1239	0.03
13	A"	1108	1055	1.10
14	A"	801	762	1.53
15	A"	216	206	1.71

Atom	x (Å)	y (Å)	z (Å)
C1	-1.477	0.816	0.000
C2	0.000	0.861	0.000
Cl3	0.711	-0.829	0.000
H4	-2.017	0.669	0.931
H5	-2.017	0.669	-0.931
H6	0.401	1.346	-0.892
H7	0.401	1.346	0.892

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4772	2.7368	1.0861	1.0861	2.1456	2.1456
C2	1.4772		1.8332	2.2292	2.2292	1.0920	1.0920
Cl3	2.7368	1.8332		3.2483	3.2483	2.3712	2.3712
H4	1.0861	2.2292	3.2483		1.8617	3.1028	2.5111
H5	1.0861	2.2292	3.2483	1.8617		2.5111	3.1028
H6	2.1456	1.0920	2.3712	3.1028	2.5111		1.7842
H7	2.1456	1.0920	2.3712	2.5111	3.1028	1.7842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	111.074	C1	C2	H6	112.391
C1	C2	H7	112.391	C2	C1	H4	120.074
C2	C1	H5	120.074	Cl3	C2	H6	105.491
Cl3	C2	H7	105.491	H4	C1	H5	117.986

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

using model chemistry: QCISD/6-31G*

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: QCISD/6-31G*

States and conformations

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