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	hartrees
Energy at 0K	-537.961475
Energy at 298.15K	-537.965091
HF Energy	-537.527228
Nuclear repulsion energy	93.756714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3053	4.04
2	A'	3129	2993	17.49
3	A'	1505	1440	0.26
4	A'	1470	1406	1.91
5	A'	1281	1225	22.07
6	A'	1105	1057	7.58
7	A'	692	662	78.14
8	A'	598	572	9.16
9	A'	310	297	10.17
10	A"	3307	3164	4.59
11	A"	3196	3058	5.45
12	A"	1269	1214	0.08
13	A"	1074	1028	0.96
14	A"	780	747	0.89
15	A"	208	199	1.51

Atom	x (Å)	y (Å)	z (Å)
C1	-1.486	0.808	0.000
C2	0.000	0.862	0.000
Cl3	0.715	-0.825	0.000
H4	-2.025	0.650	0.940
H5	-2.025	0.650	-0.940
H6	0.401	1.353	-0.899
H7	0.401	1.353	0.899

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4866	2.7404	1.0949	1.0949	2.1600	2.1600
C2	1.4866		1.8318	2.2422	2.2422	1.1004	1.1004
Cl3	2.7404	1.8318		3.2508	3.2508	2.3770	2.3770
H4	1.0949	2.2422	3.2508		1.8796	3.1242	2.5260
H5	1.0949	2.2422	3.2508	1.8796		2.5260	3.1242
H6	2.1600	1.1004	2.3770	3.1242	2.5260		1.7981
H7	2.1600	1.1004	2.3770	2.5260	3.1242	1.7981

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.914	C1	C2	H6	112.365
C1	C2	H7	112.365	C2	C1	H4	119.825
C2	C1	H5	119.825	Cl3	C2	H6	105.594
Cl3	C2	H7	105.594	H4	C1	H5	118.268

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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