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	hartrees
Energy at 0K	-1456.889159
Energy at 298.15K	-1456.893203
HF Energy	-1456.008889
Nuclear repulsion energy	341.717411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3221	3051	0.50
2	A	3190	3021	2.03
3	A	3144	2978	6.38
4	A	1501	1422	7.20
5	A	1399	1325	6.68
6	A	1358	1286	17.20
7	A	1304	1235	20.65
8	A	1236	1171	7.89
9	A	1112	1054	2.09
10	A	987	935	32.20
11	A	842	798	20.37
12	A	793	751	106.83
13	A	711	673	22.14
14	A	403	382	5.96
15	A	351	332	0.72
16	A	271	257	1.04
17	A	188	178	3.83
18	A	124	117	3.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.655	-0.838	0.391
C2	-0.417	-0.076	-0.362
Cl3	2.279	-0.308	-0.090
H4	0.540	-0.686	1.463
H5	0.569	-1.897	0.155
Cl6	-1.981	-0.845	-0.012
Cl7	-0.432	1.635	0.081
H8	-0.257	-0.134	-1.437

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5149	1.7748	1.0890	1.0890	2.6664	2.7190	2.1599
C2	1.5149		2.7195	2.1488	2.1343	1.7778	1.7681	1.0879
Cl3	1.7748	2.7195		2.3619	2.3476	4.2946	3.3402	2.8765
H4	1.0890	2.1488	2.3619		1.7832	2.9249	2.8706	3.0571
H5	1.0890	2.1343	2.3476	1.7832		2.7637	3.6725	2.5146
Cl6	2.6664	1.7778	4.2946	2.9249	2.7637		2.9255	2.3471
Cl7	2.7190	1.7681	3.3402	2.8706	3.6725	2.9255		2.3380
H8	2.1599	1.0879	2.8765	3.0571	2.5146	2.3471	2.3380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	107.888	C1	C2	Cl7	111.601
C1	C2	H8	111.099	C2	C1	Cl3	111.270
C2	C1	H4	110.149	C2	C1	H5	109.006
Cl3	C1	H4	108.753	Cl3	C1	H5	107.704
H4	C1	H5	109.921	Cl6	C2	Cl7	111.180
Cl6	C2	H8	107.525	Cl7	C2	H8	107.493

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

using model chemistry: MP2=FULL/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=FULL/6-311G*

States and conformations

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