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	hartrees
Energy at 0K	-1916.161310
Energy at 298.15K
HF Energy	-1914.981812
Nuclear repulsion energy	534.431145

Atom	x (Å)	y (Å)	z (Å)
C1	0.267	0.285	0.000
C2	-1.256	0.369	0.000
Cl3	-2.043	-1.219	0.000
Cl4	0.859	1.965	0.000
Cl5	0.859	-0.542	1.449
Cl6	0.859	-0.542	-1.449
H7	-1.571	0.903	0.891
H8	-1.571	0.903	-0.891

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5254	2.7557	1.7820	1.7701	1.7701	2.1336	2.1336
C2	1.5254		1.7718	2.6503	2.7209	2.7209	1.0857	1.0857
Cl3	2.7557	1.7718		4.3081	3.3132	3.3132	2.3499	2.3499
Cl4	1.7820	2.6503	4.3081		2.8956	2.8956	2.7972	2.7972
Cl5	1.7701	2.7209	3.3132	2.8956		2.8981	2.8812	3.6697
Cl6	1.7701	2.7209	3.3132	2.8956	2.8981		3.6697	2.8812
H7	2.1336	1.0857	2.3499	2.7972	2.8812	3.6697		1.7823
H8	2.1336	1.0857	2.3499	2.7972	3.6697	2.8812	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.181	C1	C2	H7	108.421
C1	C2	H8	108.421	C2	C1	Cl4	106.253
C2	C1	Cl5	111.089	C2	C1	Cl6	111.089
Cl3	C2	H7	108.242	Cl3	C2	H8	108.242
Cl4	C1	Cl5	109.209	Cl4	C1	Cl6	109.209
Cl5	C1	Cl6	109.898	H7	C2	H8	110.332

All results from a given calculation for CH₂ClCCl₃ (1,1,1,2-tetrachloroethane)

using model chemistry: CCD/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 CH2ClCCl3 (1,1,1,2-tetrachloroethane)

using model chemistry: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂ClCCl₃ (1,1,1,2-tetrachloroethane)