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	hartrees
Energy at 0K	-1456.645317
Energy at 298.15K	-1456.649343
HF Energy	-1455.923770
Nuclear repulsion energy	340.627854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3259	3056	1.66
2	A	3233	3031	1.77
3	A	3186	2987	6.65
4	A	1535	1439	5.08
5	A	1414	1326	7.23
6	A	1367	1282	20.17
7	A	1310	1228	25.36
8	A	1238	1160	4.55
9	A	1117	1047	2.16
10	A	994	932	24.90
11	A	854	801	18.62
12	A	799	749	89.98
13	A	713	668	20.58
14	A	401	376	6.07
15	A	349	328	0.98
16	A	268	251	1.39
17	A	186	175	3.79
18	A	117	109	3.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.666	-0.837	0.389
C2	-0.418	-0.078	-0.360
Cl3	2.292	-0.301	-0.090
H4	0.551	-0.694	1.460
H5	0.580	-1.893	0.152
Cl6	-1.983	-0.855	-0.012
Cl7	-0.448	1.639	0.081
H8	-0.261	-0.134	-1.431

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5208	1.7781	1.0861	1.0861	2.6787	2.7327	2.1602
C2	1.5208		2.7328	2.1518	2.1345	1.7814	1.7728	1.0845
Cl3	1.7781	2.7328		2.3637	2.3501	4.3112	3.3621	2.8885
H4	1.0861	2.1518	2.3637		1.7747	2.9345	2.8885	3.0546
H5	1.0861	2.1345	2.3501	1.7747		2.7701	3.6800	2.5115
Cl6	2.6787	1.7814	4.3112	2.9345	2.7701		2.9302	2.3452
Cl7	2.7327	1.7728	3.3621	2.8885	3.6800	2.9302		2.3385
H8	2.1602	1.0845	2.8885	3.0546	2.5115	2.3452	2.3385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	108.166	C1	C2	Cl7	111.909
C1	C2	H8	110.911	C2	C1	Cl3	111.638
C2	C1	H4	110.151	C2	C1	H5	108.784
Cl3	C1	H4	108.820	Cl3	C1	H5	107.820
H4	C1	H5	109.582	Cl6	C2	Cl7	111.060
Cl6	C2	H8	107.322	Cl7	C2	H8	107.391

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

using model chemistry: CCD/6-31G**

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: CCD/6-31G**

States and conformations

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