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	hartrees
Energy at 0K	-613.915362
Energy at 298.15K
HF Energy	-613.083993
Nuclear repulsion energy	159.485088

Atom	x (Å)	y (Å)	z (Å)
C1	0.960	-0.555	0.000
C2	0.000	0.616	0.000
Cl3	-1.684	0.011	0.000
O4	2.265	0.006	0.000
H5	0.789	-1.170	0.888
H6	0.789	-1.170	-0.888
H7	0.132	1.226	0.888
H8	0.132	1.226	-0.888
H9	2.906	-0.706	0.000

	C1	C2	Cl3	O4	H5	H6	H7	H8	H9
C1		1.5143	2.7043	1.4201	1.0932	1.0932	2.1565	2.1565	1.9514
C2	1.5143		1.7892	2.3453	2.1442	2.1442	1.0860	1.0860	3.1924
Cl3	2.7043	1.7892		3.9487	2.8804	2.8804	2.3585	2.3585	4.6456
O4	1.4201	2.3453	3.9487		2.0854	2.0854	2.6131	2.6131	0.9585
H5	1.0932	2.1442	2.8804	2.0854		1.7753	2.4847	3.0541	2.3419
H6	1.0932	2.1442	2.8804	2.0854	1.7753		3.0541	2.4847	2.3419
H7	2.1565	1.0860	2.3585	2.6131	2.4847	3.0541		1.7765	3.4959
H8	2.1565	1.0860	2.3585	2.6131	3.0541	2.4847	1.7765		3.4959
H9	1.9514	3.1924	4.6456	0.9585	2.3419	2.3419	3.4959	3.4959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.607	C1	C2	H7	110.981
C1	C2	H8	110.981	C1	O4	H9	108.696
C2	C1	O4	106.072	C2	C1	H5	109.581
C2	C1	H6	109.581	Cl3	C2	H7	107.705
Cl3	C2	H8	107.705	O4	C1	H5	111.492
O4	C1	H6	111.492	H5	C1	H6	108.586
H7	C2	H8	109.750

All results from a given calculation for CH₂ClCH₂OH (2-Chloroethanol)

using model chemistry: CCSD/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 CH2ClCH2OH (2-Chloroethanol)

using model chemistry: CCSD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂ClCH₂OH (2-Chloroethanol)