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	hartrees
Energy at 0K	-538.395561
Energy at 298.15K	-538.399042
HF Energy	-538.324192
Nuclear repulsion energy	92.340548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3285	3285	6.54
2	A	3146	3146	11.52
3	A	3103	3103	15.36
4	A	3023	3023	17.04
5	A	1547	1547	5.03
6	A	1526	1526	11.20
7	A	1480	1480	7.55
8	A	1322	1322	53.63
9	A	1150	1150	3.65
10	A	1066	1066	19.17
11	A	1057	1057	4.38
12	A	669	669	37.71
13	A	407	407	40.23
14	A	325	325	6.80
15	A	161	161	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.502	0.619	-0.076
C2	1.682	-0.281	0.011
Cl3	-1.153	-0.126	0.006
H4	0.499	1.665	0.196
H5	1.611	-1.102	-0.710
H6	2.592	0.291	-0.204
H7	1.796	-0.731	1.009

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4865	1.8164	1.0808	2.1433	2.1194	2.1616
C2	1.4865		2.8393	2.2847	1.0953	1.0952	1.1010
Cl3	1.8164	2.8393		2.4436	3.0173	3.7735	3.1728
H4	1.0808	2.2847	2.4436		3.1167	2.5356	2.8431
H5	2.1433	1.0953	3.0173	3.1167		1.7769	1.7686
H6	2.1194	1.0952	3.7735	2.5356	1.7769		1.7745
H7	2.1616	1.1010	3.1728	2.8431	1.7686	1.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.328	C1	C2	H6	109.415
C1	C2	H7	112.462	C2	C1	Cl3	118.209
C2	C1	H4	124.974	H5	C2	H6	108.421
H5	C2	H7	107.270	H6	C2	H7	107.798

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)