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	hartrees
Energy at 0K	-1456.626150
Energy at 298.15K	-1456.630137
HF Energy	-1455.918898
Nuclear repulsion energy	340.010171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3207	3054	1.37
2	A	3187	3035	1.27
3	A	3138	2988	6.12
4	A	1524	1451	6.44
5	A	1401	1334	6.87
6	A	1357	1292	18.75
7	A	1300	1238	22.87
8	A	1229	1171	4.30
9	A	1110	1057	2.12
10	A	989	942	26.20
11	A	839	799	19.63
12	A	784	747	99.76
13	A	705	672	22.81
14	A	401	382	6.54
15	A	347	330	1.01
16	A	266	254	1.42
17	A	186	177	4.02
18	A	116	110	3.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.665	-0.839	0.391
C2	-0.417	-0.078	-0.362
Cl3	2.295	-0.302	-0.090
H4	0.550	-0.692	1.468
H5	0.580	-1.902	0.155
Cl6	-1.986	-0.855	-0.012
Cl7	-0.447	1.642	0.082
H8	-0.260	-0.134	-1.440

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5225	1.7827	1.0923	1.0924	2.6815	2.7361	2.1690
C2	1.5225		2.7351	2.1593	2.1426	1.7855	1.7763	1.0903
Cl3	1.7827	2.7351		2.3714	2.3580	4.3175	3.3658	2.8941
H4	1.0923	2.1593	2.3714		1.7855	2.9412	2.8920	3.0693
H5	1.0924	2.1426	2.3580	1.7855		2.7769	3.6906	2.5250
Cl6	2.6815	1.7855	4.3175	2.9412	2.7769		2.9346	2.3534
Cl7	2.7361	1.7763	3.3658	2.8920	3.6906	2.9346		2.3458
H8	2.1690	1.0903	2.8941	3.0693	2.5250	2.3534	2.3458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	108.046	C1	C2	Cl7	111.850
C1	C2	H8	111.148	C2	C1	Cl3	111.447
C2	C1	H4	110.253	C2	C1	H5	108.937
Cl3	C1	H4	108.760	Cl3	C1	H5	107.772
H4	C1	H5	109.625	Cl6	C2	Cl7	110.953
Cl6	C2	H8	107.360	Cl7	C2	H8	107.409

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

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

States and conformations

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