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	hartrees
Energy at 0K	-193.632201
Energy at 298.15K	-193.641297
HF Energy	-193.104421
Nuclear repulsion energy	134.160946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3007	33.43
2	A'	3244	2996	27.58
3	A'	3164	2923	14.96
4	A'	3114	2877	70.50
5	A'	3096	2860	31.93
6	A'	1630	1506	0.89
7	A'	1601	1479	6.07
8	A'	1592	1470	3.53
9	A'	1570	1451	0.00
10	A'	1525	1408	42.18
11	A'	1482	1369	8.30
12	A'	1318	1218	70.81
13	A'	1249	1153	114.97
14	A'	1181	1091	4.96
15	A'	1101	1017	17.37
16	A'	926	855	11.12
17	A'	489	452	0.81
18	A'	303	280	3.21
19	A"	3254	3005	28.03
20	A"	3168	2927	65.31
21	A"	3131	2892	63.66
22	A"	1584	1463	5.36
23	A"	1575	1455	4.13
24	A"	1369	1265	1.38
25	A"	1270	1173	11.49
26	A"	1232	1138	0.00
27	A"	865	799	0.12
28	A"	280	259	2.65
29	A"	222	205	2.13
30	A"	117	108	3.20

Atom	x (Å)	y (Å)	z (Å)
C1	1.317	1.230	0.000
O2	0.016	0.704	0.000
C3	0.000	-0.704	0.000
C4	-1.442	-1.159	0.000
H5	1.227	2.313	0.000
H6	1.876	0.918	0.888
H7	1.876	0.918	-0.888
H8	0.526	-1.086	-0.883
H9	0.526	-1.086	0.883
H10	-1.501	-2.247	0.000
H11	-1.955	-0.782	0.883
H12	-1.955	-0.782	-0.883

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4031	2.3393	3.6493	1.0866	1.0945	1.0945	2.6014	2.6014	4.4752	3.9413	3.9413
O2	1.4031		1.4077	2.3656	2.0134	2.0718	2.0718	2.0599	2.0599	3.3180	2.6217	2.6217
C3	2.3393	1.4077		1.5121	3.2562	2.6338	2.6338	1.0964	1.0964	2.1527	2.1467	2.1467
C4	3.6493	2.3656	1.5121		4.3789	4.0136	4.0136	2.1582	2.1582	1.0898	1.0884	1.0884
H5	1.0866	2.0134	3.2562	4.3789		1.7760	1.7760	3.5807	3.5807	5.3133	4.5257	4.5257
H6	1.0945	2.0718	2.6338	4.0136	1.7760		1.7762	2.9955	2.4161	4.7124	4.1912	4.5499
H7	1.0945	2.0718	2.6338	4.0136	1.7760	1.7762		2.4161	2.9955	4.7124	4.5499	4.1912
H8	2.6014	2.0599	1.0964	2.1582	3.5807	2.9955	2.4161		1.7651	2.4970	3.0605	2.5002
H9	2.6014	2.0599	1.0964	2.1582	3.5807	2.4161	2.9955	1.7651		2.4970	2.5002	3.0605
H10	4.4752	3.3180	2.1527	1.0898	5.3133	4.7124	4.7124	2.4970	2.4970		1.7700	1.7700
H11	3.9413	2.6217	2.1467	1.0884	4.5257	4.1912	4.5499	3.0605	2.5002	1.7700		1.7651
H12	3.9413	2.6217	2.1467	1.0884	4.5257	4.5499	4.1912	2.5002	3.0605	1.7700	1.7651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.665	O2	C1	H5	107.253
O2	C1	H6	111.503	O2	C1	H7	111.503
O2	C3	C4	108.183	O2	C3	H8	110.078
O2	C3	H9	110.078	C3	C4	H10	110.610
C3	C4	H11	110.212	C3	C4	H12	110.212
C4	C3	H8	110.651	C4	C3	H9	110.651
H5	C1	H6	109.027	H5	C1	H7	109.027
H6	C1	H7	108.472	H8	C3	H9	107.207
H10	C4	H11	108.696	H10	C4	H12	108.696
H11	C4	H12	108.356

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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