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	hartrees
Energy at 0K	-1449.292121
Energy at 298.15K	-1449.295773
HF Energy	-1448.925817
Nuclear repulsion energy	326.187158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3214	3115	0.53
2	A	3200	3102	0.47
3	A	3130	3033	0.82
4	A	1531	1484	9.96
5	A	1358	1316	5.67
6	A	1304	1264	15.57
7	A	1209	1172	22.31
8	A	1189	1152	4.59
9	A	1062	1029	2.60
10	A	928	899	18.90
11	A	716	694	22.89
12	A	661	641	85.03
13	A	604	586	24.85
14	A	368	357	7.73
15	A	302	293	0.41
16	A	233	225	1.99
17	A	172	167	5.67
18	A	100	97	4.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.630	-0.872	0.436
C2	-0.392	-0.107	-0.381
Cl3	2.385	-0.345	-0.098
H4	0.547	-0.655	1.502
H5	0.570	-1.942	0.230
Cl6	-2.096	-0.866	-0.019
Cl7	-0.424	1.719	0.081
H8	-0.242	-0.165	-1.456

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5159	1.9092	1.0903	1.0916	2.7637	2.8197	2.1999
C2	1.5159		2.8024	2.1746	2.1607	1.9003	1.8840	1.0869
Cl3	1.9092	2.8024		2.4561	2.4397	4.5125	3.4914	2.9633
H4	1.0903	2.1746	2.4561		1.8092	3.0572	2.9326	3.1002
H5	1.0916	2.1607	2.4397	1.8092		2.8860	3.7970	2.5807
Cl6	2.7637	1.9003	4.5125	3.0572	2.8860		3.0808	2.4483
Cl7	2.8197	1.8840	3.4914	2.9326	3.7970	3.0808		2.4390
H8	2.1999	1.0869	2.9633	3.1002	2.5807	2.4483	2.4390

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	107.462	C1	C2	Cl7	111.606
C1	C2	H8	114.379	C2	C1	Cl3	109.277
C2	C1	H4	112.073	C2	C1	H5	110.875
Cl3	C1	H4	106.732	Cl3	C1	H5	105.527
H4	C1	H5	112.027	Cl6	C2	Cl7	108.997
Cl6	C2	H8	106.910	Cl7	C2	H8	107.295

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

using model chemistry: QCISD/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: QCISD/3-21G

States and conformations

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