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	hartrees
Energy at 0K	-192.437745
Energy at 298.15K	-192.446699
HF Energy	-192.034929
Nuclear repulsion energy	131.120599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3013	19.69
2	A'	3174	3009	27.82
3	A'	3102	2941	11.27
4	A'	3037	2879	55.11
5	A'	3031	2873	23.28
6	A'	1634	1549	0.37
7	A'	1615	1531	6.23
8	A'	1605	1522	7.32
9	A'	1541	1461	2.26
10	A'	1491	1414	9.46
11	A'	1455	1379	36.28
12	A'	1237	1172	18.19
13	A'	1142	1083	2.85
14	A'	1105	1047	89.43
15	A'	999	947	5.13
16	A'	838	795	9.43
17	A'	454	431	1.33
18	A'	276	262	4.18
19	A"	3189	3023	21.60
20	A"	3083	2923	61.08
21	A"	3064	2904	60.03
22	A"	1590	1507	5.84
23	A"	1589	1506	3.47
24	A"	1350	1280	0.01
25	A"	1230	1166	7.96
26	A"	1184	1122	0.01
27	A"	878	833	0.73
28	A"	269	255	2.95
29	A"	218	206	0.84
30	A"	115	109	4.51

Atom	x (Å)	y (Å)	z (Å)
C1	1.369	1.250	0.000
O2	0.000	0.724	0.000
C3	-0.001	-0.746	0.000
C4	-1.478	-1.163	0.000
H5	1.274	2.337	0.000
H6	1.929	0.932	0.891
H7	1.929	0.932	-0.891
H8	0.517	-1.134	-0.890
H9	0.517	-1.134	0.890
H10	-1.572	-2.254	0.000
H11	-1.968	-0.757	0.888
H12	-1.968	-0.757	-0.888

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4667	2.4208	3.7320	1.0914	1.0993	1.0993	2.6837	2.6837	4.5745	3.9941	3.9941
O2	1.4667		1.4697	2.3970	2.0555	2.1348	2.1348	2.1242	2.1242	3.3672	2.6181	2.6181
C3	2.4208	1.4697		1.5345	3.3361	2.7080	2.7080	1.1004	1.1004	2.1776	2.1581	2.1581
C4	3.7320	2.3970	1.5345		4.4525	4.0974	4.0974	2.1842	2.1842	1.0944	1.0927	1.0927
H5	1.0914	2.0555	3.3361	4.4525		1.7881	1.7881	3.6628	3.6628	5.4014	4.5685	4.5685
H6	1.0993	2.1348	2.7080	4.0974	1.7881		1.7826	3.0716	2.5026	4.8166	4.2470	4.6046
H7	1.0993	2.1348	2.7080	4.0974	1.7881	1.7826		2.5026	3.0716	4.8166	4.6046	4.2470
H8	2.6837	2.1242	1.1004	2.1842	3.6628	3.0716	2.5026		1.7792	2.5315	3.0785	2.5136
H9	2.6837	2.1242	1.1004	2.1842	3.6628	2.5026	3.0716	1.7792		2.5315	2.5136	3.0785
H10	4.5745	3.3672	2.1776	1.0944	5.4014	4.8166	4.8166	2.5315	2.5315		1.7848	1.7848
H11	3.9941	2.6181	2.1581	1.0927	4.5685	4.2470	4.6046	3.0785	2.5136	1.7848		1.7756
H12	3.9941	2.6181	2.1581	1.0927	4.5685	4.6046	4.2470	2.5136	3.0785	1.7848	1.7756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.053	O2	C1	H5	106.004
O2	C1	H6	111.805	O2	C1	H7	111.805
O2	C3	C4	105.833	O2	C3	H8	110.661
O2	C3	H9	110.661	C3	C4	H10	110.745
C3	C4	H11	109.309	C3	C4	H12	109.309
C4	C3	H8	110.910	C4	C3	H9	110.910
H5	C1	H6	109.414	H5	C1	H7	109.414
H6	C1	H7	108.352	H8	C3	H9	107.893
H10	C4	H11	109.382	H10	C4	H12	109.382
H11	C4	H12	108.681

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

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

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