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	hartrees
Energy at 0K	-194.086888
Energy at 298.15K
HF Energy	-193.179427
Nuclear repulsion energy	134.157598

Atom	x (Å)	y (Å)	z (Å)
C1	1.318	1.222	0.000
O2	0.002	0.718	0.000
C3	0.000	-0.696	0.000
C4	-1.433	-1.168	0.000
H5	1.254	2.306	0.000
H6	1.869	0.897	0.887
H7	1.869	0.897	-0.887
H8	0.529	-1.069	-0.883
H9	0.529	-1.069	0.883
H10	-1.475	-2.255	0.000
H11	-1.949	-0.798	0.882
H12	-1.949	-0.798	-0.882

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4092	2.3268	3.6438	1.0855	1.0943	1.0943	2.5792	2.5792	4.4597	3.9413	3.9413
O2	1.4092		1.4132	2.3692	2.0225	2.0752	2.0752	2.0618	2.0618	3.3193	2.6237	2.6237
C3	2.3268	1.4132		1.5087	3.2528	2.6109	2.6109	1.0954	1.0954	2.1464	2.1423	2.1423
C4	3.6438	2.3692	1.5087		4.3916	3.9942	3.9942	2.1540	2.1540	1.0882	1.0871	1.0871
H5	1.0855	2.0225	3.2528	4.3916		1.7750	1.7750	3.5632	3.5632	5.3150	4.5471	4.5471
H6	1.0943	2.0752	2.6109	3.9942	1.7750		1.7747	2.9659	2.3792	4.6802	4.1779	4.5372
H7	1.0943	2.0752	2.6109	3.9942	1.7750	1.7747		2.3792	2.9659	4.6802	4.5372	4.1779
H8	2.5792	2.0618	1.0954	2.1540	3.5632	2.9659	2.3792		1.7668	2.4905	3.0552	2.4933
H9	2.5792	2.0618	1.0954	2.1540	3.5632	2.3792	2.9659	1.7668		2.4905	2.4933	3.0552
H10	4.4597	3.3193	2.1464	1.0882	5.3150	4.6802	4.6802	2.4905	2.4905		1.7681	1.7681
H11	3.9413	2.6237	2.1423	1.0871	4.5471	4.1779	4.5372	3.0552	2.4933	1.7681		1.7647
H12	3.9413	2.6237	2.1423	1.0871	4.5471	4.5372	4.1779	2.4933	3.0552	1.7681	1.7647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.053	O2	C1	H5	107.627
O2	C1	H6	111.356	O2	C1	H7	111.356
O2	C3	C4	108.313	O2	C3	H8	109.903
O2	C3	H9	109.903	C3	C4	H10	110.442
C3	C4	H11	110.173	C3	C4	H12	110.173
C4	C3	H8	110.612	C4	C3	H9	110.612
H5	C1	H6	109.042	H5	C1	H7	109.042
H6	C1	H7	108.371	H8	C3	H9	107.498
H10	C4	H11	108.746	H10	C4	H12	108.746
H11	C4	H12	108.512

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

using model chemistry: MP4=FULL/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: MP4=FULL/cc-pVTZ

States and conformations

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