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	hartrees
Energy at 0K	-193.769440
Energy at 298.15K	-193.778434
HF Energy	-193.120811
Nuclear repulsion energy	133.648591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3045	24.34
2	A'	3227	3031	21.72
3	A'	3130	2940	16.94
4	A'	3076	2889	79.51
5	A'	3059	2873	46.04
6	A'	1576	1480	0.50
7	A'	1557	1462	5.19
8	A'	1548	1454	4.98
9	A'	1515	1423	0.00
10	A'	1470	1380	33.32
11	A'	1431	1344	7.80
12	A'	1259	1182	40.27
13	A'	1182	1111	124.77
14	A'	1143	1074	5.05
15	A'	1060	995	20.89
16	A'	885	831	14.97
17	A'	472	443	0.63
18	A'	294	276	3.02
19	A"	3241	3044	21.84
20	A"	3149	2958	50.13
21	A"	3107	2918	63.13
22	A"	1537	1444	6.58
23	A"	1531	1438	5.77
24	A"	1322	1241	1.56
25	A"	1223	1149	11.29
26	A"	1189	1116	0.11
27	A"	843	792	0.05
28	A"	270	253	2.18
29	A"	216	203	2.20
30	A"	107	100	3.33

Atom	x (Å)	y (Å)	z (Å)
C1	1.322	1.237	0.000
O2	0.003	0.716	0.000
C3	0.000	-0.707	0.000
C4	-1.436	-1.174	0.000
H5	1.234	2.319	0.000
H6	1.872	0.917	0.890
H7	1.872	0.917	-0.890
H8	0.531	-1.076	-0.886
H9	0.531	-1.076	0.886
H10	-1.479	-2.262	0.000
H11	-1.951	-0.804	0.883
H12	-1.951	-0.804	-0.883

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4183	2.3509	3.6632	1.0855	1.0939	1.0939	2.5999	2.5999	4.4821	3.9573	3.9573
O2	1.4183		1.4227	2.3751	2.0215	2.0795	2.0795	2.0673	2.0673	3.3262	2.6285	2.6285
C3	2.3509	1.4227		1.5100	3.2680	2.6327	2.6327	1.0966	1.0966	2.1461	2.1440	2.1440
C4	3.6632	2.3751	1.5100		4.3966	4.0128	4.0128	2.1596	2.1596	1.0892	1.0874	1.0874
H5	1.0855	2.0215	3.2680	4.3966		1.7790	1.7790	3.5783	3.5783	5.3243	4.5477	4.5477
H6	1.0939	2.0795	2.6327	4.0128	1.7790		1.7796	2.9865	2.4015	4.7034	4.1923	4.5519
H7	1.0939	2.0795	2.6327	4.0128	1.7790	1.7796		2.4015	2.9865	4.7034	4.5519	4.1923
H8	2.5999	2.0673	1.0966	2.1596	3.5783	2.9865	2.4015		1.7710	2.4963	3.0603	2.4972
H9	2.5999	2.0673	1.0966	2.1596	3.5783	2.4015	2.9865	1.7710		2.4963	2.4972	3.0603
H10	4.4821	3.3262	2.1461	1.0892	5.3243	4.7034	4.7034	2.4963	2.4963		1.7690	1.7690
H11	3.9573	2.6285	2.1440	1.0874	4.5477	4.1923	4.5519	3.0603	2.4972	1.7690		1.7668
H12	3.9573	2.6285	2.1440	1.0874	4.5477	4.5519	4.1923	2.4972	3.0603	1.7690	1.7668

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.685	O2	C1	H5	106.929
O2	C1	H6	111.081	O2	C1	H7	111.081
O2	C3	C4	108.128	O2	C3	H8	109.604
O2	C3	H9	109.604	C3	C4	H10	110.257
C3	C4	H11	110.207	C3	C4	H12	110.207
C4	C3	H8	110.895	C4	C3	H9	110.895
H5	C1	H6	109.428	H5	C1	H7	109.428
H6	C1	H7	108.859	H8	C3	H9	107.708
H10	C4	H11	108.729	H10	C4	H12	108.729
H11	C4	H12	108.667

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

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

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