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	hartrees
Energy at 0K	-1449.884670
Energy at 298.15K	-1449.888539
HF Energy	-1449.245848
Nuclear repulsion energy	336.360949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3175	3051	0.22
2	A	3159	3036	0.44
3	A	3106	2985	3.04
4	A	1543	1483	9.04
5	A	1388	1334	4.78
6	A	1353	1300	10.94
7	A	1282	1232	18.29
8	A	1236	1188	2.21
9	A	1034	994	0.62
10	A	969	931	21.60
11	A	778	748	14.09
12	A	719	691	93.30
13	A	657	631	25.52
14	A	394	379	6.84
15	A	333	320	0.67
16	A	258	248	1.30
17	A	184	177	4.25
18	A	109	105	3.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.664	-0.859	0.402
C2	-0.417	-0.086	-0.374
Cl3	2.318	-0.310	-0.092
H4	0.549	-0.693	1.476
H5	0.585	-1.924	0.167
Cl6	-2.020	-0.848	-0.012
Cl7	-0.436	1.655	0.083
H8	-0.256	-0.147	-1.451

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5383	1.8114	1.0928	1.0935	2.7159	2.7622	2.1872
C2	1.5383		2.7578	2.1733	2.1616	1.8121	1.8002	1.0900
Cl3	1.8114	2.7578		2.3943	2.3823	4.3720	3.3870	2.9148
H4	1.0928	2.1733	2.3943		1.7972	2.9734	2.9022	3.0838
H5	1.0935	2.1616	2.3823	1.7972		2.8242	3.7224	2.5456
Cl6	2.7159	1.8121	4.3720	2.9734	2.8242		2.9639	2.3818
Cl7	2.7622	1.8002	3.3870	2.9022	3.7224	2.9639		2.3731
H8	2.1872	1.0900	2.9148	3.0838	2.5456	2.3818	2.3731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	108.032	C1	C2	Cl7	111.420
C1	C2	H8	111.509	C2	C1	Cl3	110.570
C2	C1	H4	110.238	C2	C1	H5	109.278
Cl3	C1	H4	108.523	Cl3	C1	H5	107.615
H4	C1	H5	110.581	Cl6	C2	Cl7	110.271
Cl6	C2	H8	107.702	Cl7	C2	H8	107.849

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)