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	hartrees
Energy at 0K	-1456.692792
Energy at 298.15K	-1456.696817
HF Energy	-1455.926173
Nuclear repulsion energy	340.877834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3275	3051	0.47
2	A	3251	3028	1.04
3	A	3202	2983	5.63
4	A	1526	1421	5.79
5	A	1413	1316	7.89
6	A	1361	1268	20.94
7	A	1306	1217	25.12
8	A	1232	1148	4.18
9	A	1117	1041	2.12
10	A	993	925	24.30
11	A	847	789	20.83
12	A	792	738	95.87
13	A	711	662	21.06
14	A	406	378	6.16
15	A	348	325	0.93
16	A	267	249	1.30
17	A	187	174	3.81
18	A	115	107	3.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.668	-0.823	0.402
C2	-0.420	-0.078	-0.348
Cl3	2.294	-0.305	-0.096
H4	0.554	-0.659	1.467
H5	0.567	-1.881	0.197
Cl6	-1.982	-0.861	-0.017
Cl7	-0.452	1.642	0.079
H8	-0.242	-0.143	-1.413

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5172	1.7769	1.0833	1.0828	2.6834	2.7261	2.1414
C2	1.5172		2.7346	2.1400	2.1263	1.7783	1.7721	1.0816
Cl3	1.7769	2.7346		2.3652	2.3560	4.3121	3.3701	2.8617
H4	1.0833	2.1400	2.3652		1.7626	2.9449	2.8686	3.0319
H5	1.0828	2.1263	2.3560	1.7626		2.7534	3.6687	2.5031
Cl6	2.6834	1.7783	4.3121	2.9449	2.7534		2.9348	2.3433
Cl7	2.7261	1.7721	3.3701	2.8686	3.6687	2.9348		2.3357
H8	2.1414	1.0816	2.8617	3.0319	2.5031	2.3433	2.3357

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	108.770	C1	C2	Cl7	111.714
C1	C2	H8	109.836	C2	C1	Cl3	111.987
C2	C1	H4	109.630	C2	C1	H5	108.579
Cl3	C1	H4	109.162	Cl3	C1	H5	108.500
H4	C1	H5	108.927	Cl6	C2	Cl7	111.505
Cl6	C2	H8	107.533	Cl7	C2	H8	107.384

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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