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	hartrees
Energy at 0K	-1456.735782
Energy at 298.15K	-1456.739784
HF Energy	-1456.018517
Nuclear repulsion energy	340.377225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3234	3065	0.38
2	A	3205	3038	1.28
3	A	3155	2990	5.45
4	A	1485	1408	5.21
5	A	1386	1314	7.31
6	A	1335	1265	22.11
7	A	1276	1209	26.61
8	A	1215	1152	5.69
9	A	1105	1048	2.55
10	A	976	925	23.90
11	A	828	785	17.59
12	A	778	737	102.22
13	A	699	663	23.93
14	A	400	379	6.59
15	A	344	326	0.83
16	A	264	250	1.22
17	A	186	177	3.90
18	A	119	113	3.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.652	-0.839	0.391
C2	-0.414	-0.078	-0.364
Cl3	2.289	-0.311	-0.089
H4	0.540	-0.684	1.460
H5	0.566	-1.895	0.154
Cl6	-1.988	-0.850	-0.012
Cl7	-0.435	1.644	0.081
H8	-0.258	-0.133	-1.435

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5112	1.7863	1.0859	1.0859	2.6705	2.7280	2.1584
C2	1.5112		2.7273	2.1451	2.1279	1.7882	1.7789	1.0842
Cl3	1.7863	2.7273		2.3667	2.3538	4.3121	3.3574	2.8863
H4	1.0859	2.1451	2.3667		1.7812	2.9295	2.8762	3.0527
H5	1.0859	2.1279	2.3538	1.7812		2.7640	3.6785	2.5110
Cl6	2.6705	1.7882	4.3121	2.9295	2.7640		2.9400	2.3523
Cl7	2.7280	1.7789	3.3574	2.8762	3.6785	2.9400		2.3428
H8	2.1584	1.0842	2.8863	3.0527	2.5110	2.3523	2.3428

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	107.779	C1	C2	Cl7	111.768
C1	C2	H8	111.470	C2	C1	Cl3	111.326
C2	C1	H4	110.288	C2	C1	H5	108.933
Cl3	C1	H4	108.502	Cl3	C1	H5	107.559
H4	C1	H5	110.194	Cl6	C2	Cl7	111.019
Cl6	C2	H8	107.415	Cl7	C2	H8	107.328

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

using model chemistry: MP2/TZVP

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: MP2/TZVP

States and conformations

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