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	hartrees
Energy at 0K	-194.007912
Energy at 298.15K
HF Energy	-193.181952
Nuclear repulsion energy	133.844256

Atom	x (Å)	y (Å)	z (Å)
C1	1.316	1.231	0.000
O2	0.013	0.710	0.000
C3	0.000	-0.698	0.000
C4	-1.440	-1.168	0.000
H5	1.237	2.317	0.000
H6	1.876	0.915	0.889
H7	1.876	0.915	-0.889
H8	0.528	-1.079	-0.885
H9	0.528	-1.079	0.885
H10	-1.482	-2.258	0.000
H11	-1.959	-0.798	0.885
H12	-1.959	-0.798	-0.885

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4038	2.3356	3.6541	1.0886	1.0974	1.0974	2.5968	2.5968	4.4729	3.9526	3.9526
O2	1.4038		1.4081	2.3741	2.0207	2.0747	2.0747	2.0616	2.0616	3.3232	2.6347	2.6347
C3	2.3356	1.4081		1.5148	3.2593	2.6294	2.6294	1.0989	1.0989	2.1518	2.1516	2.1516
C4	3.6541	2.3741	1.5148		4.3947	4.0158	4.0158	2.1601	2.1601	1.0911	1.0903	1.0903
H5	1.0886	2.0207	3.2593	4.3947		1.7785	1.7785	3.5807	3.5807	5.3225	4.5496	4.5496
H6	1.0974	2.0747	2.6294	4.0158	1.7785		1.7789	2.9907	2.4073	4.7052	4.1997	4.5591
H7	1.0974	2.0747	2.6294	4.0158	1.7785	1.7789		2.4073	2.9907	4.7052	4.5591	4.1997
H8	2.5968	2.0616	1.0989	2.1601	3.5807	2.9907	2.4073		1.7703	2.4930	3.0654	2.5028
H9	2.5968	2.0616	1.0989	2.1601	3.5807	2.4073	2.9907	1.7703		2.4930	2.5028	3.0654
H10	4.4729	3.3232	2.1518	1.0911	5.3225	4.7052	4.7052	2.4930	2.4930		1.7728	1.7728
H11	3.9526	2.6347	2.1516	1.0903	4.5496	4.1997	4.5591	3.0654	2.5028	1.7728		1.7695
H12	3.9526	2.6347	2.1516	1.0903	4.5496	4.5591	4.1997	2.5028	3.0654	1.7728	1.7695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.323	O2	C1	H5	107.667
O2	C1	H6	111.508	O2	C1	H7	111.508
O2	C3	C4	108.573	O2	C3	H8	110.023
O2	C3	H9	110.023	C3	C4	H10	110.270
C3	C4	H11	110.298	C3	C4	H12	110.298
C4	C3	H8	110.455	C4	C3	H9	110.455
H5	C1	H6	108.901	H5	C1	H7	108.901
H6	C1	H7	108.296	H8	C3	H9	107.310
H10	C4	H11	108.721	H10	C4	H12	108.721
H11	C4	H12	108.484

All results from a given calculation for CH₃OC₂H₅ (Ethane, methoxy-)

using model chemistry: QCISD/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 CH3OC2H5 (Ethane, methoxy-)

using model chemistry: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃OC₂H₅ (Ethane, methoxy-)