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	hartrees
Energy at 0K	-1458.751683
Energy at 298.15K	-1458.755498
HF Energy	-1458.751683
Nuclear repulsion energy	337.923001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3166	3063	0.32
2	A	3148	3046	1.12
3	A	3099	2998	4.96
4	A	1472	1424	7.07
5	A	1333	1289	5.73
6	A	1286	1245	16.60
7	A	1224	1185	17.79
8	A	1177	1138	3.07
9	A	1057	1023	3.33
10	A	938	907	22.81
11	A	759	735	12.65
12	A	706	683	130.01
13	A	652	631	41.46
14	A	384	371	7.14
15	A	325	315	1.31
16	A	250	242	1.04
17	A	179	173	3.64
18	A	105	101	3.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.678	-0.815	0.408
C2	-0.417	-0.078	-0.345
Cl3	2.312	-0.301	-0.098
H4	0.573	-0.644	1.477
H5	0.586	-1.880	0.210
Cl6	-1.985	-0.880	-0.019
Cl7	-0.473	1.653	0.078
H8	-0.246	-0.137	-1.415

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5191	1.7868	1.0872	1.0874	2.6972	2.7433	2.1534
C2	1.5191		2.7495	2.1490	2.1352	1.7909	1.7833	1.0856
Cl3	1.7868	2.7495		2.3713	2.3598	4.3367	3.4075	2.8820
H4	1.0872	2.1490	2.3713		1.7703	2.9725	2.8858	3.0481
H5	1.0874	2.1352	2.3598	1.7703		2.7675	3.6909	2.5239
Cl6	2.6972	1.7909	4.3367	2.9725	2.7675		2.9518	2.3507
Cl7	2.7433	1.7833	3.4075	2.8858	3.6909	2.9518		2.3424
H8	2.1534	1.0856	2.8820	3.0481	2.5239	2.3507	2.3424

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	108.868	C1	C2	Cl7	112.092
C1	C2	H8	110.424	C2	C1	Cl3	112.290
C2	C1	H4	109.975	C2	C1	H5	108.883
Cl3	C1	H4	108.738	Cl3	C1	H5	107.886
H4	C1	H5	108.999	Cl6	C2	Cl7	111.349
Cl6	C2	H8	107.044	Cl7	C2	H8	106.938

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

using model chemistry: B3LYP/aug-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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All results from a given calculation for CH2ClCHCl2 (1,1,2-trichloroethane)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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