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	hartrees
Energy at 0K	-193.421800
Energy at 298.15K	-193.430700
HF Energy	-193.015630
Nuclear repulsion energy	130.841880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3032	26.07
2	A'	3158	3001	27.21
3	A'	3073	2920	17.01
4	A'	3028	2877	54.25
5	A'	3011	2861	39.33
6	A'	1599	1519	0.35
7	A'	1576	1498	2.39
8	A'	1573	1494	9.61
9	A'	1518	1442	0.55
10	A'	1487	1413	12.55
11	A'	1448	1376	26.94
12	A'	1230	1169	16.76
13	A'	1143	1086	7.36
14	A'	1095	1041	82.63
15	A'	1018	968	21.76
16	A'	823	782	13.07
17	A'	458	435	1.10
18	A'	280	266	4.37
19	A"	3176	3017	28.72
20	A"	3095	2941	63.25
21	A"	3053	2900	65.87
22	A"	1559	1482	5.05
23	A"	1557	1480	5.32
24	A"	1329	1263	0.00
25	A"	1216	1156	9.77
26	A"	1169	1111	0.29
27	A"	861	818	0.45
28	A"	261	248	2.56
29	A"	201	191	2.39
30	A"	107	102	5.08

Atom	x (Å)	y (Å)	z (Å)
C1	1.353	1.287	0.000
O2	0.000	0.722	0.000
C3	0.000	-0.749	0.000
C4	-1.460	-1.196	0.000
H5	1.221	2.372	0.000
H6	1.912	0.978	0.897
H7	1.912	0.978	-0.897
H8	0.535	-1.119	-0.893
H9	0.535	-1.119	0.893
H10	-1.528	-2.293	0.000
H11	-1.971	-0.810	0.890
H12	-1.971	-0.810	-0.890

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4662	2.4447	3.7526	1.0927	1.1016	1.1016	2.6938	2.6938	4.5954	4.0298	4.0298
O2	1.4662		1.4710	2.4107	2.0525	2.1278	2.1278	2.1146	2.1146	3.3800	2.6502	2.6502
C3	2.4447	1.4710		1.5276	3.3513	2.7286	2.7286	1.1042	1.1042	2.1724	2.1640	2.1640
C4	3.7526	2.4107	1.5276		4.4632	4.1120	4.1120	2.1871	2.1871	1.0990	1.0965	1.0965
H5	1.0927	2.0525	3.3513	4.4632		1.7960	1.7960	3.6680	3.6680	5.4146	4.5938	4.5938
H6	1.1016	2.1278	2.7286	4.1120	1.7960		1.7945	3.0823	2.5093	4.8314	4.2754	4.6339
H7	1.1016	2.1278	2.7286	4.1120	1.7960	1.7945		2.5093	3.0823	4.8314	4.6339	4.2754
H8	2.6938	2.1146	1.1042	2.1871	3.6680	3.0823	2.5093		1.7854	2.5357	3.0908	2.5250
H9	2.6938	2.1146	1.1042	2.1871	3.6680	2.5093	3.0823	1.7854		2.5357	2.5250	3.0908
H10	4.5954	3.3800	2.1724	1.0990	5.4146	4.8314	4.8314	2.5357	2.5357		1.7858	1.7858
H11	4.0298	2.6502	2.1640	1.0965	4.5938	4.2754	4.6339	3.0908	2.5250	1.7858		1.7800
H12	4.0298	2.6502	2.1640	1.0965	4.5938	4.6339	4.2754	2.5250	3.0908	1.7858	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.672	O2	C1	H5	105.734
O2	C1	H6	111.126	O2	C1	H7	111.126
O2	C3	C4	107.003	O2	C3	H8	109.573
O2	C3	H9	109.573	C3	C4	H10	110.537
C3	C4	H11	110.020	C3	C4	H12	110.020
C4	C3	H8	111.394	C4	C3	H9	111.394
H5	C1	H6	109.868	H5	C1	H7	109.868
H6	C1	H7	109.077	H8	C3	H9	107.892
H10	C4	H11	108.854	H10	C4	H12	108.854
H11	C4	H12	108.510

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

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

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/6-31G

States and conformations

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