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	hartrees
Energy at 0K	-1456.626787
Energy at 298.15K	-1456.630888
Nuclear repulsion energy	341.616523

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3293	3047	1.92
2	A	3276	3031	1.50
3	A	3221	2980	7.57
4	A	1551	1435	6.11
5	A	1447	1339	7.15
6	A	1397	1293	21.39
7	A	1343	1242	26.29
8	A	1271	1176	7.39
9	A	1139	1054	1.94
10	A	1012	937	33.49
11	A	862	798	26.42
12	A	807	747	117.50
13	A	726	672	25.19
14	A	411	380	6.36
15	A	358	331	0.88
16	A	276	255	1.13
17	A	193	178	4.16
18	A	120	111	3.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.664	-0.828	0.396
C2	-0.414	-0.078	-0.357
Cl3	2.287	-0.299	-0.093
H4	0.559	-0.673	1.462
H5	0.585	-1.884	0.170
Cl6	-1.974	-0.857	-0.014
Cl7	-0.453	1.634	0.081
H8	-0.255	-0.133	-1.424

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5147	1.7753	1.0825	1.0825	2.6699	2.7224	2.1546
C2	1.5147		2.7229	2.1478	2.1305	1.7766	1.7673	1.0802
Cl3	1.7753	2.7229		2.3541	2.3403	4.2975	3.3574	2.8743
H4	1.0825	2.1478	2.3541		1.7713	2.9378	2.8735	3.0474
H5	1.0825	2.1305	2.3403	1.7713		2.7634	3.6692	2.5125
Cl6	2.6699	1.7766	4.2975	2.9378	2.7634		2.9200	2.3376
Cl7	2.7224	1.7673	3.3574	2.8735	3.6692	2.9200		2.3295
H8	2.1546	1.0802	2.8743	3.0474	2.5125	2.3376	2.3295

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	108.161	C1	C2	Cl7	111.863
C1	C2	H8	111.163	C2	C1	Cl3	111.466
C2	C1	H4	110.471	C2	C1	H5	109.099
Cl3	C1	H4	108.485	Cl3	C1	H5	107.468
H4	C1	H5	109.795	Cl6	C2	Cl7	110.962
Cl6	C2	H8	107.296	Cl7	C2	H8	107.316

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

using model chemistry: CISD/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: CISD/6-311G*

States and conformations

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