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	hartrees
Energy at 0K	-1456.704338
Energy at 298.15K	-1456.708377
HF Energy	-1456.008884
Nuclear repulsion energy	341.440978

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3217	3057	0.57
2	A	3187	3029	2.00
3	A	3140	2984	6.47
4	A	1501	1427	6.95
5	A	1398	1328	6.70
6	A	1357	1289	17.57
7	A	1304	1239	20.87
8	A	1235	1174	7.82
9	A	1108	1053	1.99
10	A	987	938	31.84
11	A	841	799	20.53
12	A	791	752	108.30
13	A	709	673	23.08
14	A	403	383	6.09
15	A	350	333	0.73
16	A	271	257	1.05
17	A	188	179	3.88
18	A	123	117	3.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.655	-0.827	0.402
C2	-0.420	-0.076	-0.353
Cl3	2.280	-0.316	-0.095
H4	0.537	-0.655	1.471
H5	0.550	-1.892	0.196
Cl6	-1.985	-0.847	-0.016
Cl7	-0.428	1.640	0.080
H8	-0.240	-0.143	-1.424

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5141	1.7745	1.0891	1.0891	2.6736	2.7140	2.1457
C2	1.5141		2.7236	2.1395	2.1307	1.7769	1.7697	1.0882
Cl3	1.7745	2.7236		2.3678	2.3586	4.2992	3.3452	2.8544
H4	1.0891	2.1395	2.3678		1.7761	2.9339	2.8517	3.0405
H5	1.0891	2.1307	2.3586	1.7761		2.7498	3.6664	2.5109
Cl6	2.6736	1.7769	4.2992	2.9339	2.7498		2.9363	2.3504
Cl7	2.7140	1.7697	3.3452	2.8517	3.6664	2.9363		2.3405
H8	2.1457	1.0882	2.8544	3.0405	2.5109	2.3504	2.3405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	108.403	C1	C2	Cl7	111.240
C1	C2	H8	110.005	C2	C1	Cl3	111.588
C2	C1	H4	109.469	C2	C1	H5	108.768
Cl3	C1	H4	109.208	Cl3	C1	H5	108.526
H4	C1	H5	109.247	Cl6	C2	Cl7	111.769
Cl6	C2	H8	107.807	Cl7	C2	H8	107.556

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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