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	hartrees
Energy at 0K	-538.121850
Energy at 298.15K	-538.125372
HF Energy	-537.570143
Nuclear repulsion energy	94.943707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3244	3100	6.13
2	A	3136	2996	11.90
3	A	3093	2956	13.82
4	A	3019	2885	18.25
5	A	1503	1436	2.40
6	A	1487	1421	7.56
7	A	1428	1364	4.72
8	A	1323	1264	38.29
9	A	1133	1082	2.88
10	A	1054	1007	14.74
11	A	1018	973	0.71
12	A	749	716	22.61
13	A	408	390	23.62
14	A	326	312	6.49
15	A	162	155	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.444	0.604	-0.072
C2	1.646	-0.267	0.009
Cl3	-1.110	-0.129	0.006
H4	0.457	1.651	0.181
H5	1.582	-1.087	-0.706
H6	2.541	0.316	-0.205
H7	1.759	-0.709	1.006

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4863	1.7202	1.0778	2.1351	2.1210	2.1483
C2	1.4863		2.7594	2.2635	1.0906	1.0898	1.0956
Cl3	1.7202	2.7594		2.3783	2.9456	3.6844	3.0935
H4	1.0778	2.2635	2.3783		3.0913	2.5056	2.8190
H5	2.1351	1.0906	2.9456	3.0913		1.7718	1.7621
H6	2.1210	1.0898	3.6844	2.5056	1.7718		1.7684
H7	2.1483	1.0956	3.0935	2.8190	1.7621	1.7684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.971	C1	C2	H6	109.883
C1	C2	H7	111.725	C2	C1	Cl3	118.573
C2	C1	H4	123.163	H5	C2	H6	108.703
H5	C2	H7	107.418	H6	C2	H7	108.029

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

using model chemistry: QCISD/cc-pVTZ

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: QCISD/cc-pVTZ

States and conformations

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