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	hartrees
Energy at 0K	-1456.727286
Energy at 298.15K	-1456.731343
HF Energy	-1456.013425
Nuclear repulsion energy	341.620989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3215	3055	0.89
2	A	3189	3030	2.14
3	A	3140	2984	6.75
4	A	1479	1406	4.43
5	A	1389	1320	7.32
6	A	1344	1277	20.33
7	A	1295	1231	24.33
8	A	1226	1165	7.94
9	A	1107	1052	2.39
10	A	983	934	29.84
11	A	844	802	19.53
12	A	795	756	106.24
13	A	711	676	22.28
14	A	403	383	5.64
15	A	351	334	0.71
16	A	271	258	0.99
17	A	188	179	3.59
18	A	125	119	2.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.656	-0.840	0.388
C2	-0.419	-0.076	-0.363
Cl3	2.279	-0.308	-0.089
H4	0.537	-0.692	1.461
H5	0.567	-1.899	0.147
Cl6	-1.982	-0.844	-0.011
Cl7	-0.431	1.636	0.081
H8	-0.258	-0.133	-1.437

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5178	1.7736	1.0896	1.0897	2.6681	2.7214	2.1602
C2	1.5178		2.7223	2.1496	2.1348	1.7772	1.7684	1.0879
Cl3	1.7736	2.7223		2.3631	2.3492	4.2959	3.3396	2.8790
H4	1.0896	2.1496	2.3631		1.7845	2.9218	2.8740	3.0568
H5	1.0897	2.1348	2.3492	1.7845		2.7633	3.6738	2.5117
Cl6	2.6681	1.7772	4.2959	2.9218	2.7633		2.9272	2.3477
Cl7	2.7214	1.7684	3.3396	2.8740	3.6738	2.9272		2.3382
H8	2.1602	1.0879	2.8790	3.0568	2.5117	2.3477	2.3382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	107.883	C1	C2	Cl7	111.585
C1	C2	H8	110.921	C2	C1	Cl3	111.360
C2	C1	H4	109.967	C2	C1	H5	108.804
Cl3	C1	H4	108.886	Cl3	C1	H5	107.862
H4	C1	H5	109.932	Cl6	C2	Cl7	111.298
Cl6	C2	H8	107.608	Cl7	C2	H8	107.495

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

using model chemistry: MP2/6-311G**

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

using model chemistry: MP2/6-311G**

States and conformations

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