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	hartrees
Energy at 0K	-194.022214
Energy at 298.15K
HF Energy	-193.179004
Nuclear repulsion energy	133.728334

Atom	x (Å)	y (Å)	z (Å)
C1	1.322	1.225	0.000
O2	0.004	0.719	0.000
C3	0.000	-0.697	0.000
C4	-1.440	-1.170	0.000
H5	1.258	2.312	0.000
H6	1.876	0.899	0.890
H7	1.876	0.899	-0.890
H8	0.532	-1.073	-0.886
H9	0.532	-1.073	0.886
H10	-1.483	-2.261	0.000
H11	-1.959	-0.800	0.885
H12	-1.959	-0.800	-0.885

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4118	2.3332	3.6563	1.0892	1.0979	1.0979	2.5869	2.5869	4.4749	3.9565	3.9565
O2	1.4118		1.4163	2.3782	2.0271	2.0805	2.0805	2.0678	2.0678	3.3309	2.6358	2.6358
C3	2.3332	1.4163		1.5158	3.2618	2.6195	2.6195	1.0997	1.0997	2.1554	2.1525	2.1525
C4	3.6563	2.3782	1.5158		4.4052	4.0092	4.0092	2.1641	2.1641	1.0919	1.0909	1.0909
H5	1.0892	2.0271	3.2618	4.4052		1.7809	1.7809	3.5740	3.5740	5.3319	4.5627	4.5627
H6	1.0979	2.0805	2.6195	4.0092	1.7809		1.7806	2.9756	2.3871	4.6976	4.1951	4.5553
H7	1.0979	2.0805	2.6195	4.0092	1.7809	1.7806		2.3871	2.9756	4.6976	4.5553	4.1951
H8	2.5869	2.0678	1.0997	2.1641	3.5740	2.9756	2.3871		1.7723	2.5014	3.0689	2.5061
H9	2.5869	2.0678	1.0997	2.1641	3.5740	2.3871	2.9756	1.7723		2.5014	2.5061	3.0689
H10	4.4749	3.3309	2.1554	1.0919	5.3319	4.6976	4.6976	2.5014	2.5014		1.7736	1.7736
H11	3.9565	2.6358	2.1525	1.0909	4.5627	4.1951	4.5553	3.0689	2.5061	1.7736		1.7703
H12	3.9565	2.6358	2.1525	1.0909	4.5627	4.5553	4.1951	2.5061	3.0689	1.7736	1.7703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.179	O2	C1	H5	107.590
O2	C1	H6	111.382	O2	C1	H7	111.382
O2	C3	C4	108.356	O2	C3	H8	109.897
O2	C3	H9	109.897	C3	C4	H10	110.436
C3	C4	H11	110.260	C3	C4	H12	110.260
C4	C3	H8	110.660	C4	C3	H9	110.660
H5	C1	H6	109.030	H5	C1	H7	109.030
H6	C1	H7	108.379	H8	C3	H9	107.371
H10	C4	H11	108.683	H10	C4	H12	108.683
H11	C4	H12	108.464

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

using model chemistry: QCISD(T)/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(T)/cc-pVTZ

States and conformations

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