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	hartrees
Energy at 0K	-1449.286994
Energy at 298.15K	-1449.290688
HF Energy	-1448.926252
Nuclear repulsion energy	326.894272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3223	3134	0.32
2	A	3208	3120	0.38
3	A	3140	3053	0.88
4	A	1538	1495	10.22
5	A	1369	1331	4.71
6	A	1317	1281	13.89
7	A	1222	1188	20.57
8	A	1199	1166	3.22
9	A	1068	1039	2.52
10	A	934	908	18.47
11	A	735	715	19.44
12	A	679	660	73.41
13	A	614	597	21.18
14	A	371	361	7.42
15	A	307	298	0.36
16	A	235	229	2.00
17	A	174	169	5.51
18	A	101	98	4.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.634	-0.869	0.432
C2	-0.394	-0.107	-0.380
Cl3	2.381	-0.342	-0.097
H4	0.548	-0.659	1.498
H5	0.573	-1.939	0.225
Cl6	-2.090	-0.867	-0.018
Cl7	-0.428	1.715	0.081
H8	-0.243	-0.165	-1.455

	C1	C2	Cl3	H4	H5	Cl6	Cl7	H8
C1		1.5156	1.9003	1.0900	1.0913	2.7609	2.8160	2.1967
C2	1.5156		2.7993	2.1724	2.1584	1.8936	1.8796	1.0866
Cl3	1.9003	2.7993		2.4505	2.4340	4.5027	3.4860	2.9603
H4	1.0900	2.1724	2.4505		1.8055	3.0499	2.9322	3.0967
H5	1.0913	2.1584	2.4340	1.8055		2.8813	3.7916	2.5761
Cl6	2.7609	1.8936	4.5027	3.0499	2.8813		3.0724	2.4426
Cl7	2.8160	1.8796	3.4860	2.9322	3.7916	3.0724		2.4343
H8	2.1967	1.0866	2.9603	3.0967	2.5761	2.4426	2.4343

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	107.640	C1	C2	Cl7	111.630
C1	C2	H8	114.151	C2	C1	Cl3	109.551
C2	C1	H4	111.934	C2	C1	H5	110.727
Cl3	C1	H4	106.914	Cl3	C1	H5	105.698
H4	C1	H5	111.734	Cl6	C2	Cl7	109.027
Cl6	C2	H8	106.948	Cl7	C2	H8	107.262

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

using model chemistry: CCD/3-21G

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: CCD/3-21G

States and conformations

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