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	hartrees
Energy at 0K	-193.856981
Energy at 298.15K	-193.865891
HF Energy	-193.128327
Nuclear repulsion energy	132.382779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3121	3052
2	A'	3108	3039
3	A'	3026	2959
4	A'	2970	2904
5	A'	2957	2891
6	A'	1505	1472
7	A'	1483	1450
8	A'	1479	1446
9	A'	1450	1418
10	A'	1409	1378
11	A'	1371	1341
12	A'	1219	1192
13	A'	1141	1116
14	A'	1099	1075
15	A'	1031	1008
16	A'	854	836
17	A'	462	452
18	A'	287	281
19	A"	3116	3047
20	A"	3026	2959
21	A"	2993	2927
22	A"	1468	1436
23	A"	1465	1432
24	A"	1279	1251
25	A"	1179	1153
26	A"	1148	1122
27	A"	809	791
28	A"	258	252
29	A"	208	203
30	A"	108	106

Atom	x (Å)	y (Å)	z (Å)
C1	1.334	1.239	0.000
O2	0.001	0.727	0.000
C3	0.000	-0.705	0.000
C4	-1.450	-1.183	0.000
H5	1.261	2.338	0.000
H6	1.890	0.907	0.903
H7	1.890	0.907	-0.903
H8	0.539	-1.079	-0.898
H9	0.539	-1.079	0.898
H10	-1.485	-2.289	0.000
H11	-1.976	-0.813	0.897
H12	-1.976	-0.813	-0.897

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4274	2.3574	3.6902	1.1021	1.1108	1.1108	2.6099	2.6099	4.5156	3.9964	3.9964
O2	1.4274		1.4321	2.3994	2.0449	2.1011	2.1011	2.0881	2.0881	3.3623	2.6623	2.6623
C3	2.3574	1.4321		1.5268	3.2941	2.6433	2.6433	1.1127	1.1127	2.1712	2.1730	2.1730
C4	3.6902	2.3994	1.5268		4.4443	4.0425	4.0425	2.1851	2.1851	1.1056	1.1043	1.1043
H5	1.1021	2.0449	3.2941	4.4443		1.8052	1.8052	3.6067	3.6067	5.3805	4.6057	4.6057
H6	1.1108	2.1011	2.6433	4.0425	1.8052		1.8055	3.0025	2.4024	4.7352	4.2317	4.5986
H7	1.1108	2.1011	2.6433	4.0425	1.8052	1.8055		2.4024	3.0025	4.7352	4.5986	4.2317
H8	2.6099	2.0881	1.1127	2.1851	3.6067	3.0025	2.4024		1.7964	2.5235	3.1020	2.5296
H9	2.6099	2.0881	1.1127	2.1851	3.6067	2.4024	3.0025	1.7964		2.5235	2.5296	3.1020
H10	4.5156	3.3623	2.1712	1.1056	5.3805	4.7352	4.7352	2.5235	2.5235		1.7955	1.7955
H11	3.9964	2.6623	2.1730	1.1043	4.6057	4.2317	4.5986	3.1020	2.5296	1.7955		1.7945
H12	3.9964	2.6623	2.1730	1.1043	4.6057	4.5986	4.2317	2.5296	3.1020	1.7955	1.7945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.055	O2	C1	H5	107.184
O2	C1	H6	111.127	O2	C1	H7	111.127
O2	C3	C4	108.328	O2	C3	H8	109.640
O2	C3	H9	109.640	C3	C4	H10	110.104
C3	C4	H11	110.323	C3	C4	H12	110.323
C4	C3	H8	110.784	C4	C3	H9	110.784
H5	C1	H6	109.323	H5	C1	H7	109.323
H6	C1	H7	108.722	H8	C3	H9	107.656
H10	C4	H11	108.679	H10	C4	H12	108.679
H11	C4	H12	108.686

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

using model chemistry: QCISD(T)/aug-cc-pVDZ

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)/aug-cc-pVDZ

States and conformations

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