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	hartrees
Energy at 0K	-538.575968
Energy at 298.15K	-538.579497
HF Energy	-538.420652
Nuclear repulsion energy	94.645854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3251	3102	6.96
2	A	3137	2993	11.92
3	A	3091	2949	13.70
4	A	3011	2873	19.98
5	A	1499	1431	2.99
6	A	1479	1412	10.31
7	A	1431	1366	6.23
8	A	1322	1262	41.52
9	A	1129	1077	3.64
10	A	1051	1002	22.22
11	A	1020	974	0.76
12	A	732	698	31.76
13	A	409	390	28.94
14	A	331	316	7.89
15	A	169	161	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.455	0.602	-0.073
C2	1.649	-0.268	0.009
Cl3	-1.117	-0.128	0.006
H4	0.463	1.649	0.183
H5	1.591	-1.088	-0.708
H6	2.544	0.316	-0.201
H7	1.764	-0.714	1.004

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4797	1.7343	1.0777	2.1334	2.1132	2.1468
C2	1.4797		2.7688	2.2606	1.0907	1.0898	1.0966
Cl3	1.7343	2.7688		2.3840	2.9603	3.6936	3.1049
H4	1.0777	2.2606	2.3840		3.0914	2.5014	2.8200
H5	2.1334	1.0907	2.9603	3.0914		1.7708	1.7607
H6	2.1132	1.0898	3.6936	2.5014	1.7708		1.7674
H7	2.1468	1.0966	3.1049	2.8200	1.7607	1.7674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.289	C1	C2	H6	109.721
C1	C2	H7	112.016	C2	C1	Cl3	118.752
C2	C1	H4	123.482	H5	C2	H6	108.595
H5	C2	H7	107.216	H6	C2	H7	107.870

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

using model chemistry: B2PLYP=FULL/TZVP

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/TZVP

States and conformations

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