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	hartrees
Energy at 0K	-1456.618570
Energy at 298.15K	-1456.622582
HF Energy	-1455.919088
Nuclear repulsion energy	340.442171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3246	3046	0.66
2	A	3228	3030	0.94
3	A	3176	2981	4.82
4	A	1534	1440	6.95
5	A	1413	1326	6.67
6	A	1367	1283	18.64
7	A	1310	1230	22.03
8	A	1238	1162	4.32
9	A	1119	1050	2.18
10	A	996	935	26.92
11	A	849	797	18.89
12	A	795	746	97.68
13	A	713	669	22.49
14	A	403	378	6.70
15	A	350	328	1.05
16	A	268	252	1.49
17	A	187	176	4.14
18	A	116	109	3.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.665	-0.837	0.392
C2	-0.416	-0.078	-0.362
Cl3	2.293	-0.301	-0.091
H4	0.551	-0.688	1.466
H5	0.581	-1.898	0.158
Cl6	-1.982	-0.856	-0.012
Cl7	-0.450	1.640	0.081
H8	-0.259	-0.134	-1.436

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5209	1.7805	1.0896	1.0897	2.6778	2.7336	2.1656
C2	1.5209		2.7316	2.1555	2.1389	1.7830	1.7743	1.0873
Cl3	1.7805	2.7316		2.3676	2.3541	4.3114	3.3641	2.8892
H4	1.0896	2.1555	2.3676		1.7819	2.9376	2.8870	3.0630
H5	1.0897	2.1389	2.3541	1.7819		2.7716	3.6852	2.5211
Cl6	2.6778	1.7830	4.3114	2.9376	2.7716		2.9303	2.3490
Cl7	2.7336	1.7743	3.3641	2.8870	3.6852	2.9303		2.3418
H8	2.1656	1.0873	2.8892	3.0630	2.5211	2.3490	2.3418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	108.027	C1	C2	Cl7	111.879
C1	C2	H8	111.176	C2	C1	Cl3	111.425
C2	C1	H4	110.227	C2	C1	H5	108.912
Cl3	C1	H4	108.761	Cl3	C1	H5	107.768
H4	C1	H5	109.703	Cl6	C2	Cl7	110.921
Cl6	C2	H8	107.361	Cl7	C2	H8	107.401

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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