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	hartrees
Energy at 0K	-1456.009445
Energy at 298.15K	-1456.013573
Nuclear repulsion energy	340.362966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3366	3045	4.52
2	A	3352	3031	0.61
3	A	3289	2975	10.17
4	A	1613	1459	4.48
5	A	1494	1352	9.74
6	A	1438	1301	29.11
7	A	1382	1250	36.37
8	A	1307	1182	7.85
9	A	1153	1043	1.72
10	A	1037	938	34.63
11	A	861	779	34.91
12	A	798	722	152.49
13	A	732	662	36.10
14	A	417	377	7.57
15	A	361	327	1.12
16	A	279	252	1.20
17	A	196	178	4.91
18	A	117	106	4.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.675	-0.818	0.408
C2	-0.410	-0.080	-0.354
Cl3	2.303	-0.289	-0.097
H4	0.583	-0.650	1.468
H5	0.607	-1.871	0.195
Cl6	-1.969	-0.876	-0.017
Cl7	-0.483	1.638	0.080
H8	-0.253	-0.132	-1.414

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5170	1.7855	1.0765	1.0767	2.6786	2.7343	2.1570
C2	1.5170		2.7332	2.1517	2.1312	1.7831	1.7731	1.0731
Cl3	1.7855	2.7332		2.3530	2.3383	4.3135	3.3918	2.8805
H4	1.0765	2.1517	2.3530		1.7638	2.9620	2.8804	3.0454
H5	1.0767	2.1312	2.3383	1.7638		2.7694	3.6757	2.5202
Cl6	2.6786	1.7831	4.3135	2.9620	2.7694		2.9223	2.3340
Cl7	2.7343	1.7731	3.3918	2.8804	3.6757	2.9223		2.3279
H8	2.1570	1.0731	2.8805	3.0454	2.5202	2.3340	2.3279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	108.252	C1	C2	Cl7	112.187
C1	C2	H8	111.625	C2	C1	Cl3	111.457
C2	C1	H4	110.986	C2	C1	H5	109.334
Cl3	C1	H4	108.031	Cl3	C1	H5	106.942
H4	C1	H5	110.000	Cl6	C2	Cl7	110.523
Cl6	C2	H8	106.967	Cl7	C2	H8	107.172

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

using model chemistry: HF/6-311G*

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	-0.423
2	C	-0.319
3	Cl	-0.090
4	H	0.295
5	H	0.291
6	Cl	-0.048
7	Cl	-0.029
8	H	0.323

	x	y	z	Total
	-0.070	-1.506	-0.110	1.511
CHELPG
AIM
ESP

	x	y	z
x	9.369	1.081	-0.515
y	1.081	7.659	0.012
z	-0.515	0.012	4.931

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311G*

States and conformations

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