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	hartrees
Energy at 0K	-535.285483
Energy at 298.15K	-535.289077
HF Energy	-534.989519
Nuclear repulsion energy	94.048673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3270	3110	6.63
2	A	3166	3012	7.59
3	A	3129	2977	10.38
4	A	3058	2909	9.57
5	A	1591	1513	4.11
6	A	1573	1497	9.64
7	A	1499	1426	7.36
8	A	1373	1306	36.93
9	A	1139	1084	4.68
10	A	1087	1034	2.67
11	A	1056	1004	22.15
12	A	720	685	30.22
13	A	452	430	33.46
14	A	345	328	4.13
15	A	174	165	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.451	0.614	-0.083
C2	1.661	-0.273	0.012
Cl3	-1.121	-0.130	0.007
H4	0.469	1.654	0.212
H5	1.582	-1.105	-0.695
H6	2.558	0.308	-0.225
H7	1.778	-0.695	1.020

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.5035	1.7414	1.0814	2.1471	2.1342	2.1659
C2	1.5035		2.7860	2.2749	1.0949	1.0947	1.0996
Cl3	1.7414	2.7860		2.3987	2.9580	3.7126	3.1226
H4	1.0814	2.2749	2.3987		3.1107	2.5233	2.8080
H5	2.1471	1.0949	2.9580	3.1107		1.7812	1.7746
H6	2.1342	1.0947	3.7126	2.5233	1.7812		1.7795
H7	2.1659	1.0996	3.1226	2.8080	1.7746	1.7795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.457	C1	C2	H6	109.441
C1	C2	H7	111.680	C2	C1	Cl3	118.132
C2	C1	H4	122.466	H5	C2	H6	108.874
H5	C2	H7	107.937	H6	C2	H7	108.382

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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