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	hartrees
Energy at 0K	-193.704972
Energy at 298.15K	-193.714078
HF Energy	-193.146239
Nuclear repulsion energy	134.435923

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3232	3003	35.91
2	A'	3219	2991	32.94
3	A'	3141	2918	17.62
4	A'	3093	2873	87.81
5	A'	3078	2860	30.38
6	A'	1615	1501	2.21
7	A'	1587	1475	8.40
8	A'	1576	1464	3.20
9	A'	1562	1451	0.72
10	A'	1514	1407	43.78
11	A'	1472	1368	1.75
12	A'	1319	1225	71.24
13	A'	1250	1161	125.17
14	A'	1175	1092	5.84
15	A'	1099	1021	18.85
16	A'	924	858	10.77
17	A'	490	455	0.69
18	A'	304	282	2.89
19	A"	3227	2998	35.47
20	A"	3142	2920	72.67
21	A"	3112	2891	66.82
22	A"	1568	1457	8.05
23	A"	1557	1447	6.21
24	A"	1371	1273	2.47
25	A"	1264	1175	11.92
26	A"	1231	1144	0.05
27	A"	858	797	0.04
28	A"	279	259	2.74
29	A"	223	207	2.17
30	A"	114	106	2.82

Atom	x (Å)	y (Å)	z (Å)
C1	1.313	1.226	0.000
O2	0.018	0.704	0.000
C3	0.000	-0.697	0.000
C4	-1.440	-1.161	0.000
H5	1.231	2.308	0.000
H6	1.871	0.913	0.887
H7	1.871	0.913	-0.887
H8	0.526	-1.078	-0.882
H9	0.526	-1.078	0.882
H10	-1.495	-2.248	0.000
H11	-1.956	-0.787	0.881
H12	-1.956	-0.787	-0.881

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3968	2.3290	3.6438	1.0854	1.0937	1.0937	2.5902	2.5902	4.4670	3.9393	3.9393
O2	1.3968		1.4014	2.3668	2.0112	2.0655	2.0655	2.0529	2.0529	3.3169	2.6259	2.6259
C3	2.3290	1.4014		1.5127	3.2478	2.6234	2.6234	1.0958	1.0958	2.1538	2.1473	2.1473
C4	3.6438	2.3668	1.5127		4.3779	4.0065	4.0065	2.1567	2.1567	1.0888	1.0874	1.0874
H5	1.0854	2.0112	3.2478	4.3779		1.7730	1.7730	3.5701	3.5701	5.3092	4.5291	4.5291
H6	1.0937	2.0655	2.6234	4.0065	1.7730		1.7741	2.9845	2.4034	4.7021	4.1880	4.5460
H7	1.0937	2.0655	2.6234	4.0065	1.7730	1.7741		2.4034	2.9845	4.7021	4.5460	4.1880
H8	2.5902	2.0529	1.0958	2.1567	3.5701	2.9845	2.4034		1.7647	2.4961	3.0589	2.4993
H9	2.5902	2.0529	1.0958	2.1567	3.5701	2.4034	2.9845	1.7647		2.4961	2.4993	3.0589
H10	4.4670	3.3169	2.1538	1.0888	5.3092	4.7021	4.7021	2.4961	2.4961		1.7675	1.7675
H11	3.9393	2.6259	2.1473	1.0874	4.5291	4.1880	4.5460	3.0589	2.4993	1.7675		1.7625
H12	3.9393	2.6259	2.1473	1.0874	4.5291	4.5460	4.1880	2.4993	3.0589	1.7675	1.7625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.673	O2	C1	H5	107.581
O2	C1	H6	111.485	O2	C1	H7	111.485
O2	C3	C4	108.562	O2	C3	H8	109.986
O2	C3	H9	109.986	C3	C4	H10	110.715
C3	C4	H11	110.275	C3	C4	H12	110.275
C4	C3	H8	110.521	C4	C3	H9	110.521
H5	C1	H6	108.911	H5	C1	H7	108.911
H6	C1	H7	108.407	H8	C3	H9	107.263
H10	C4	H11	108.623	H10	C4	H12	108.623
H11	C4	H12	108.264

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

using model chemistry: CID/6-311G*

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/6-311G*

States and conformations

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