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	hartrees
Energy at 0K	-193.802787
Energy at 298.15K	-193.811802
HF Energy	-193.144876
Nuclear repulsion energy	133.623134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	3002	33.70
2	A'	3124	2991	30.91
3	A'	3047	2917	17.95
4	A'	2992	2865	84.84
5	A'	2978	2851	32.08
6	A'	1568	1502	1.89
7	A'	1541	1475	7.80
8	A'	1531	1466	4.04
9	A'	1512	1448	0.44
10	A'	1465	1403	39.99
11	A'	1428	1367	2.18
12	A'	1269	1215	51.04
13	A'	1196	1145	118.72
14	A'	1139	1091	4.38
15	A'	1064	1018	18.62
16	A'	892	854	11.03
17	A'	480	459	0.64
18	A'	298	285	2.77
19	A"	3131	2998	33.11
20	A"	3040	2911	68.45
21	A"	3009	2881	70.15
22	A"	1518	1453	7.95
23	A"	1512	1448	5.86
24	A"	1323	1267	1.99
25	A"	1226	1174	10.98
26	A"	1190	1139	0.00
27	A"	835	799	0.04
28	A"	271	260	2.67
29	A"	218	209	1.84
30	A"	109	105	2.55

Atom	x (Å)	y (Å)	z (Å)
C1	1.324	1.225	0.000
O2	0.011	0.714	0.000
C3	0.000	-0.700	0.000
C4	-1.446	-1.164	0.000
H5	1.246	2.315	0.000
H6	1.882	0.904	0.894
H7	1.882	0.904	-0.894
H8	0.531	-1.081	-0.890
H9	0.531	-1.081	0.890
H10	-1.500	-2.259	0.000
H11	-1.964	-0.787	0.888
H12	-1.964	-0.787	-0.888

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4091	2.3358	3.6574	1.0930	1.1019	1.1019	2.5958	2.5958	4.4845	3.9557	3.9557
O2	1.4091		1.4136	2.3764	2.0225	2.0826	2.0826	2.0701	2.0701	3.3347	2.6347	2.6347
C3	2.3358	1.4136		1.5183	3.2621	2.6291	2.6291	1.1043	1.1043	2.1637	2.1573	2.1573
C4	3.6574	2.3764	1.5183		4.3988	4.0184	4.0184	2.1693	2.1693	1.0964	1.0951	1.0951
H5	1.0930	2.0225	3.2621	4.3988		1.7876	1.7876	3.5831	3.5831	5.3352	4.5519	4.5519
H6	1.1019	2.0826	2.6291	4.0184	1.7876		1.7884	2.9912	2.4010	4.7158	4.2014	4.5637
H7	1.1019	2.0826	2.6291	4.0184	1.7876	1.7884		2.4010	2.9912	4.7158	4.5637	4.2014
H8	2.5958	2.0701	1.1043	2.1693	3.5831	2.9912	2.4010		1.7793	2.5107	3.0778	2.5126
H9	2.5958	2.0701	1.1043	2.1693	3.5831	2.4010	2.9912	1.7793		2.5107	2.5126	3.0778
H10	4.4845	3.3347	2.1637	1.0964	5.3352	4.7158	4.7158	2.5107	2.5107		1.7806	1.7806
H11	3.9557	2.6347	2.1573	1.0951	4.5519	4.2014	4.5637	3.0778	2.5126	1.7806		1.7758
H12	3.9557	2.6347	2.1573	1.0951	4.5519	4.5637	4.2014	2.5126	3.0778	1.7806	1.7758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.692	O2	C1	H5	107.188
O2	C1	H6	111.490	O2	C1	H7	111.490
O2	C3	C4	108.244	O2	C3	H8	110.003
O2	C3	H9	110.003	C3	C4	H10	110.647
C3	C4	H11	110.219	C3	C4	H12	110.219
C4	C3	H8	110.625	C4	C3	H9	110.625
H5	C1	H6	109.064	H5	C1	H7	109.064
H6	C1	H7	108.490	H8	C3	H9	107.345
H10	C4	H11	108.676	H10	C4	H12	108.676
H11	C4	H12	108.344

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

using model chemistry: QCISD/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: QCISD/6-311G*

States and conformations

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