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	hartrees
Energy at 0K	-1455.923994
Energy at 298.15K	-1455.928127
Nuclear repulsion energy	340.520446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3359	3032	1.47
2	A	3345	3019	1.07
3	A	3282	2962	7.63
4	A	1608	1452	5.78
5	A	1485	1341	9.30
6	A	1429	1290	25.49
7	A	1371	1237	33.37
8	A	1300	1173	4.48
9	A	1151	1039	2.25
10	A	1036	935	31.96
11	A	870	785	29.88
12	A	808	729	142.38
13	A	737	665	34.26
14	A	419	378	7.96
15	A	363	328	1.36
16	A	280	252	1.49
17	A	197	178	4.89
18	A	116	105	4.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.678	-0.820	0.405
C2	-0.411	-0.079	-0.354
Cl3	2.302	-0.287	-0.096
H4	0.582	-0.659	1.467
H5	0.606	-1.873	0.185
Cl6	-1.967	-0.877	-0.017
Cl7	-0.484	1.637	0.080
H8	-0.254	-0.132	-1.416

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5201	1.7813	1.0781	1.0783	2.6790	2.7367	2.1583
C2	1.5201		2.7336	2.1532	2.1318	1.7809	1.7711	1.0753
Cl3	1.7813	2.7336		2.3536	2.3388	4.3107	3.3904	2.8815
H4	1.0781	2.1532	2.3536		1.7655	2.9571	2.8858	3.0475
H5	1.0783	2.1318	2.3388	1.7655		2.7670	3.6766	2.5169
Cl6	2.6790	1.7809	4.3107	2.9571	2.7670		2.9200	2.3341
Cl7	2.7367	1.7711	3.3904	2.8858	3.6766	2.9200		2.3283
H8	2.1583	1.0753	2.8815	3.0475	2.5169	2.3341	2.3283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	108.246	C1	C2	Cl7	112.288
C1	C2	H8	111.372	C2	C1	Cl3	111.546
C2	C1	H4	110.790	C2	C1	H5	109.072
Cl3	C1	H4	108.268	Cl3	C1	H5	107.173
H4	C1	H5	109.919	Cl6	C2	Cl7	110.587
Cl6	C2	H8	107.006	Cl7	C2	H8	107.226

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.287
2	C	-0.285
3	Cl	-0.058
4	H	0.206
5	H	0.202
6	Cl	-0.017
7	Cl	0.002
8	H	0.236

	x	y	z	Total
	-0.066	-1.489	-0.129	1.496
CHELPG
AIM
ESP

	x	y	z
x	8.910	0.959	-0.480
y	0.959	7.406	0.054
z	-0.480	0.054	4.993

<r²>	271.257
(<r²>)^1/2	16.470

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

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

States and conformations

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