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	hartrees
Energy at 0K	-538.509953
Energy at 298.15K	-538.513481
HF Energy	-538.374524
Nuclear repulsion energy	94.704669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3273	3273	8.39
2	A	3171	3171	11.55
3	A	3124	3124	15.10
4	A	3041	3041	18.67
5	A	1521	1521	2.36
6	A	1503	1503	7.41
7	A	1445	1445	4.67
8	A	1338	1338	43.20
9	A	1140	1140	3.59
10	A	1061	1061	21.34
11	A	1025	1025	0.64
12	A	745	745	29.61
13	A	417	417	27.82
14	A	332	332	6.73
15	A	165	165	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.449	0.601	-0.074
C2	1.650	-0.266	0.010
Cl3	-1.115	-0.128	0.006
H4	0.459	1.649	0.186
H5	1.590	-1.094	-0.699
H6	2.542	0.321	-0.216
H7	1.778	-0.701	1.009

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4841	1.7273	1.0797	2.1371	2.1170	2.1528
C2	1.4841		2.7692	2.2621	1.0918	1.0909	1.0974
Cl3	1.7273	2.7692		2.3807	2.9583	3.6916	3.1154
H4	1.0797	2.2621	2.3807		3.0963	2.5030	2.8176
H5	2.1371	1.0918	2.9583	3.0963		1.7725	1.7628
H6	2.1170	1.0909	3.6916	2.5030	1.7725		1.7685
H7	2.1528	1.0974	3.1154	2.8176	1.7628	1.7685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.219	C1	C2	H6	109.652
C1	C2	H7	112.145	C2	C1	Cl3	118.960
C2	C1	H4	123.065	H5	C2	H6	108.594
H5	C2	H7	107.265	H6	C2	H7	107.831

All results from a given calculation for CHClCH₃ (1-chloroethyl radical)

using model chemistry: B2PLYP=FULL/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 CHClCH3 (1-chloroethyl radical)

using model chemistry: B2PLYP=FULL/6-31G**

States and conformations

All results from a given calculation for CHClCH₃ (1-chloroethyl radical)