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	hartrees
Energy at 0K	-538.115349
Energy at 298.15K	-538.118987
HF Energy	-537.566881
Nuclear repulsion energy	94.325155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	2994	3.66
2	A'	3129	2945	13.27
3	A'	1522	1433	0.48
4	A'	1489	1401	2.79
5	A'	1280	1205	16.63
6	A'	1102	1037	7.52
7	A'	681	641	90.73
8	A'	601	566	2.91
9	A'	309	291	10.74
10	A"	3290	3097	4.16
11	A"	3189	3002	2.94
12	A"	1281	1206	0.18
13	A"	1081	1017	0.84
14	A"	788	742	0.84
15	A"	218	206	1.39

Atom	x (Å)	y (Å)	z (Å)
C1	-1.470	0.806	0.000
C2	0.000	0.865	0.000
Cl3	0.707	-0.826	0.000
H4	-2.005	0.668	0.927
H5	-2.005	0.668	-0.927
H6	0.402	1.340	-0.889
H7	0.402	1.340	0.889

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4715	2.7217	1.0794	1.0794	2.1400	2.1400
C2	1.4715		1.8333	2.2178	2.2178	1.0846	1.0846
Cl3	2.7217	1.8333		3.2326	3.2326	2.3609	2.3609
H4	1.0794	2.2178	3.2326		1.8549	3.0891	2.4992
H5	1.0794	2.2178	3.2326	1.8549		2.4992	3.0891
H6	2.1400	1.0846	2.3609	3.0891	2.4992		1.7772
H7	2.1400	1.0846	2.3609	2.4992	3.0891	1.7772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.408	C1	C2	H6	112.820
C1	C2	H7	112.820	C2	C1	H4	120.002
C2	C1	H5	120.002	Cl3	C2	H6	105.108
Cl3	C2	H7	105.108	H4	C1	H5	118.460

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

using model chemistry: CCSD/cc-pVTZ

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-pVTZ

States and conformations

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