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	hartrees
Energy at 0K	-1440.290051
Energy at 298.15K	-1440.293969
Nuclear repulsion energy	335.020534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3744	3057	7.27
2	A	3655	2984	4.92
3	A	3617	2954	5.02
4	A	1743	1423	1.64
5	A	1577	1288	4.33
6	A	1498	1223	36.60
7	A	1422	1161	34.56
8	A	1356	1107	4.32
9	A	1236	1009	4.20
10	A	1104	901	32.31
11	A	998	815	17.36
12	A	953	778	68.87
13	A	808	660	23.52
14	A	415	339	10.72
15	A	371	303	2.77
16	A	271	221	4.48
17	A	188	153	6.49
18	A	96	79	6.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.677	-0.858	0.410
C2	-0.422	-0.086	-0.364
Cl3	2.323	-0.312	-0.097
H4	0.575	-0.698	1.484
H5	0.593	-1.923	0.187
Cl6	-2.027	-0.858	-0.016
Cl7	-0.440	1.667	0.083
H8	-0.260	-0.147	-1.446

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5506	1.8069	1.0908	1.0914	2.7372	2.7803	2.1976
C2	1.5506		2.7672	2.1879	2.1699	1.8149	1.8090	1.0954
Cl3	1.8069	2.7672		2.3886	2.3812	4.3848	3.4034	2.9184
H4	1.0908	2.1879	2.3886		1.7847	3.0076	2.9301	3.0965
H5	1.0914	2.1699	2.3812	1.7847		2.8349	3.7369	2.5590
Cl6	2.7372	1.8149	4.3848	3.0076	2.8349		2.9838	2.3824
Cl7	2.7803	1.8090	3.4034	2.9301	3.7369	2.9838		2.3790
H8	2.1976	1.0954	2.9184	3.0965	2.5590	2.3824	2.3790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	108.591	C1	C2	Cl7	111.466
C1	C2	H8	111.141	C2	C1	Cl3	110.787
C2	C1	H4	110.645	C2	C1	H5	109.200
Cl3	C1	H4	108.497	Cl3	C1	H5	107.927
H4	C1	H5	109.737	Cl6	C2	Cl7	110.846
Cl6	C2	H8	107.293	Cl7	C2	H8	107.431

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

using model chemistry: HF/STO-3G

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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Number	Element	Mulliken
1	C	-0.055
2	C	0.050
3	Cl	-0.142
4	H	0.123
5	H	0.120
6	Cl	-0.122
7	Cl	-0.111
8	H	0.137

	x	y	z	Total
	-0.009	-1.810	-0.204	1.821
CHELPG
AIM
ESP

	x	y	z
x	4.816	1.027	-0.555
y	1.027	3.832	0.107
z	-0.555	0.107	1.842

<r²>	277.080
(<r²>)^1/2	16.646

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

using model chemistry: HF/STO-3G

States and conformations

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