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	hartrees
Energy at 0K	-1456.646145
Energy at 298.15K	-1456.650095
HF Energy	-1455.918723
Nuclear repulsion energy	339.498665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3192	3071
2	A	3169	3049
3	A	3122	3003
4	A	1514	1457
5	A	1388	1336
6	A	1345	1294
7	A	1288	1239
8	A	1218	1172
9	A	1100	1059
10	A	981	944
11	A	825	793
12	A	771	742
13	A	696	670
14	A	397	382
15	A	342	330
16	A	264	254
17	A	184	177
18	A	115	110

Atom	x (Å)	y (Å)	z (Å)
C1	0.662	-0.843	0.391
C2	-0.417	-0.078	-0.364
Cl3	2.297	-0.305	-0.090
H4	0.547	-0.695	1.468
H5	0.577	-1.907	0.153
Cl6	-1.991	-0.854	-0.012
Cl7	-0.443	1.645	0.082
H8	-0.261	-0.134	-1.443

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5235	1.7869	1.0935	1.0937	2.6839	2.7394	2.1726
C2	1.5235		2.7374	2.1607	2.1449	1.7899	1.7797	1.0917
Cl3	1.7869	2.7374		2.3758	2.3625	4.3239	3.3673	2.8989
H4	1.0935	2.1607	2.3758		1.7893	2.9423	2.8939	3.0734
H5	1.0937	2.1449	2.3625	1.7893		2.7810	3.6958	2.5283
Cl6	2.6839	1.7899	4.3239	2.9423	2.7810		2.9406	2.3583
Cl7	2.7394	1.7797	3.3673	2.8939	3.6958	2.9406		2.3502
H8	2.1726	1.0917	2.8989	3.0734	2.5283	2.3583	2.3502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	107.928	C1	C2	Cl7	111.830
C1	C2	H8	111.288	C2	C1	Cl3	111.319
C2	C1	H4	110.226	C2	C1	H5	108.975
Cl3	C1	H4	108.740	Cl3	C1	H5	107.757
H4	C1	H5	109.783	Cl6	C2	Cl7	110.930
Cl6	C2	H8	107.356	Cl7	C2	H8	107.438

All results from a given calculation for CH₂ClCHCl₂ (1,1,2-trichloroethane)

using model chemistry: CCSD(T)/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 CH2ClCHCl2 (1,1,2-trichloroethane)

using model chemistry: CCSD(T)/6-31G*

States and conformations

All results from a given calculation for CH₂ClCHCl₂ (1,1,2-trichloroethane)