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	hartrees
Energy at 0K	-1458.218660
Energy at 298.15K	-1458.222554
HF Energy	-1458.218660
Nuclear repulsion energy	341.355764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3179	3055	0.30
2	A	3157	3034	1.15
3	A	3110	2989	5.56
4	A	1464	1407	8.00
5	A	1334	1282	6.06
6	A	1286	1236	13.68
7	A	1227	1180	15.86
8	A	1179	1133	3.52
9	A	1081	1039	4.39
10	A	944	907	26.75
11	A	795	764	14.06
12	A	751	722	127.98
13	A	681	655	30.72
14	A	388	373	6.68
15	A	335	322	1.15
16	A	255	245	1.21
17	A	179	172	3.73
18	A	108	104	3.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.657	-0.836	0.390
C2	-0.411	-0.079	-0.361
Cl3	2.285	-0.303	-0.090
H4	0.549	-0.687	1.461
H5	0.577	-1.895	0.153
Cl6	-1.979	-0.852	-0.012
Cl7	-0.444	1.636	0.081
H8	-0.264	-0.127	-1.435

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5094	1.7789	1.0872	1.0876	2.6660	2.7241	2.1637
C2	1.5094		2.7184	2.1480	2.1308	1.7825	1.7714	1.0853
Cl3	1.7789	2.7184		2.3590	2.3472	4.2992	3.3517	2.8871
H4	1.0872	2.1480	2.3590		1.7807	2.9306	2.8790	3.0603
H5	1.0876	2.1308	2.3472	1.7807		2.7657	3.6767	2.5213
Cl6	2.6660	1.7825	4.2992	2.9306	2.7657		2.9246	2.3436
Cl7	2.7241	1.7714	3.3517	2.8790	3.6767	2.9246		2.3329
H8	2.1637	1.0853	2.8871	3.0603	2.5213	2.3436	2.3329

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	107.880	C1	C2	Cl7	112.019
C1	C2	H8	111.967	C2	C1	Cl3	111.258
C2	C1	H4	110.573	C2	C1	H5	109.192
Cl3	C1	H4	108.360	Cl3	C1	H5	107.474
H4	C1	H5	109.926	Cl6	C2	Cl7	110.761
Cl6	C2	H8	107.092	Cl7	C2	H8	107.035

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	-0.108
2	C	-0.015
3	Cl	-0.135
4	H	0.146
5	H	0.144
6	Cl	-0.104
7	Cl	-0.087
8	H	0.159

	x	y	z	Total
	-0.085	-1.276	-0.131	1.285
CHELPG
AIM
ESP

	x	y	z
x	10.851	0.827	-0.293
y	0.827	8.975	-0.033
z	-0.293	-0.033	6.430

<r²>	268.655
(<r²>)^1/2	16.391

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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