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	hartrees
Energy at 0K	-194.013092
Energy at 298.15K	-194.022143
HF Energy	-193.179709
Nuclear repulsion energy	134.586120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3023	24.04
2	A'	3183	3022	16.62
3	A'	3105	2948	13.81
4	A'	3040	2887	74.18
5	A'	3029	2876	33.68
6	A'	1559	1480	1.77
7	A'	1539	1461	4.76
8	A'	1528	1451	5.02
9	A'	1496	1420	0.39
10	A'	1445	1372	32.65
11	A'	1408	1337	0.80
12	A'	1254	1191	48.57
13	A'	1192	1132	124.73
14	A'	1134	1077	3.08
15	A'	1066	1012	18.95
16	A'	888	843	10.50
17	A'	473	449	0.66
18	A'	292	277	2.61
19	A"	3187	3026	18.68
20	A"	3091	2935	45.29
21	A"	3055	2900	58.76
22	A"	1520	1443	7.95
23	A"	1512	1436	4.87
24	A"	1321	1254	2.02
25	A"	1217	1156	9.57
26	A"	1185	1125	0.01
27	A"	833	791	0.22
28	A"	283	268	1.78
29	A"	221	209	1.38
30	A"	119	113	2.31

Atom	x (Å)	y (Å)	z (Å)
C1	1.313	1.218	0.000
O2	0.002	0.715	0.000
C3	0.000	-0.693	0.000
C4	-1.428	-1.164	0.000
H5	1.250	2.299	0.000
H6	1.863	0.894	0.885
H7	1.863	0.894	-0.885
H8	0.528	-1.066	-0.881
H9	0.528	-1.066	0.881
H10	-1.470	-2.249	0.000
H11	-1.943	-0.795	0.880
H12	-1.943	-0.795	-0.880

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4044	2.3187	3.6316	1.0826	1.0914	1.0914	2.5710	2.5710	4.4454	3.9280	3.9280
O2	1.4044		1.4081	2.3612	2.0171	2.0691	2.0691	2.0558	2.0558	3.3088	2.6147	2.6147
C3	2.3187	1.4081		1.5038	3.2429	2.6028	2.6028	1.0928	1.0928	2.1401	2.1353	2.1353
C4	3.6316	2.3612	1.5038		4.3782	3.9816	3.9816	2.1479	2.1479	1.0851	1.0841	1.0841
H5	1.0826	2.0171	3.2429	4.3782		1.7699	1.7699	3.5528	3.5528	5.2991	4.5329	4.5329
H6	1.0914	2.0691	2.6028	3.9816	1.7699		1.7695	2.9567	2.3717	4.6658	4.1645	4.5229
H7	1.0914	2.0691	2.6028	3.9816	1.7699	1.7695		2.3717	2.9567	4.6658	4.5229	4.1645
H8	2.5710	2.0558	1.0928	2.1479	3.5528	2.9567	2.3717		1.7615	2.4834	3.0465	2.4863
H9	2.5710	2.0558	1.0928	2.1479	3.5528	2.3717	2.9567	1.7615		2.4834	2.4863	3.0465
H10	4.4454	3.3088	2.1401	1.0851	5.2991	4.6658	4.6658	2.4834	2.4834		1.7634	1.7634
H11	3.9280	2.6147	2.1353	1.0841	4.5329	4.1645	4.5229	3.0465	2.4863	1.7634		1.7595
H12	3.9280	2.6147	2.1353	1.0841	4.5329	4.5229	4.1645	2.4863	3.0465	1.7634	1.7595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.061	O2	C1	H5	107.690
O2	C1	H6	111.384	O2	C1	H7	111.384
O2	C3	C4	108.324	O2	C3	H8	109.932
O2	C3	H9	109.932	C3	C4	H10	110.468
C3	C4	H11	110.151	C3	C4	H12	110.151
C4	C3	H8	110.625	C4	C3	H9	110.625
H5	C1	H6	109.002	H5	C1	H7	109.002
H6	C1	H7	108.329	H8	C3	H9	107.404
H10	C4	H11	108.765	H10	C4	H12	108.765
H11	C4	H12	108.493

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

using model chemistry: MP2=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: MP2=FULL/cc-pVTZ

States and conformations

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