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	hartrees
Energy at 0K	-1449.830455
Energy at 298.15K	-1449.834365
HF Energy	-1449.246265
Nuclear repulsion energy	337.451495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3226	3069	0.05
2	A	3205	3049	0.68
3	A	3153	2999	2.54
4	A	1561	1485	9.47
5	A	1403	1335	5.27
6	A	1368	1302	11.47
7	A	1297	1233	18.19
8	A	1249	1188	2.40
9	A	1047	996	0.74
10	A	982	934	23.78
11	A	786	748	12.68
12	A	729	693	105.51
13	A	665	633	29.78
14	A	399	380	7.44
15	A	337	321	0.71
16	A	261	249	1.38
17	A	185	176	4.53
18	A	112	107	3.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.658	-0.862	0.396
C2	-0.416	-0.085	-0.375
Cl3	2.308	-0.312	-0.090
H4	0.541	-0.702	1.467
H5	0.578	-1.922	0.154
Cl6	-2.017	-0.841	-0.011
Cl7	-0.426	1.650	0.083
H8	-0.259	-0.145	-1.450

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5332	1.8054	1.0896	1.0904	2.7061	2.7536	2.1820
C2	1.5332		2.7478	2.1659	2.1540	1.8080	1.7949	1.0873
Cl3	1.8054	2.7478		2.3872	2.3757	4.3579	3.3696	2.9097
H4	1.0896	2.1659	2.3872		1.7928	2.9577	2.8954	3.0756
H5	1.0904	2.1540	2.3757	1.7928		2.8158	3.7109	2.5354
Cl6	2.7061	1.8080	4.3579	2.9577	2.8158		2.9573	2.3761
Cl7	2.7536	1.7949	3.3696	2.8954	3.7109	2.9573		2.3664
H8	2.1820	1.0873	2.9097	3.0756	2.5354	2.3761	2.3664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	107.896	C1	C2	Cl7	111.418
C1	C2	H8	111.614	C2	C1	Cl3	110.515
C2	C1	H4	110.190	C2	C1	H5	109.209
Cl3	C1	H4	108.558	Cl3	C1	H5	107.681
H4	C1	H5	110.655	Cl6	C2	Cl7	110.328
Cl6	C2	H8	107.688	Cl7	C2	H8	107.842

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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