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	hartrees
Energy at 0K	-193.980312
Energy at 298.15K	-193.973792
HF Energy	-193.103072
Nuclear repulsion energy	134.463087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3287	3287	48.68
2	A'	3265	3265	44.82
3	A'	3195	3195	21.79
4	A'	3158	3158	95.21
5	A'	3141	3141	27.10
6	A'	1674	1674	0.72
7	A'	1646	1646	5.46
8	A'	1636	1636	2.52
9	A'	1623	1623	0.18
10	A'	1575	1575	47.97
11	A'	1529	1529	6.66
12	A'	1370	1370	76.37
13	A'	1285	1285	166.87
14	A'	1213	1213	7.84
15	A'	1113	1113	17.34
16	A'	945	945	12.87
17	A'	497	497	0.68
18	A'	309	309	2.94
19	A"	3277	3277	48.63
20	A"	3205	3205	94.99
21	A"	3175	3175	63.38
22	A"	1633	1633	4.34
23	A"	1620	1620	2.75
24	A"	1423	1423	2.83
25	A"	1312	1312	13.49
26	A"	1278	1278	0.05
27	A"	882	882	0.00
28	A"	284	284	2.97
29	A"	227	227	2.27
30	A"	122	122	3.40

Atom	x (Å)	y (Å)	z (Å)
C1	1.254	1.295	0.000
O2	0.000	0.693	0.000
C3	0.032	-0.702	0.000
C4	-1.394	-1.222	0.000
H5	1.102	2.369	0.000
H6	1.830	1.019	0.886
H7	1.830	1.019	-0.886
H8	0.571	-1.064	-0.880
H9	0.571	-1.064	0.880
H10	-1.405	-2.310	0.000
H11	-1.925	-0.870	0.881
H12	-1.925	-0.870	-0.881

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3905	2.3410	3.6529	1.0847	1.0919	1.0919	2.6081	2.6081	4.4793	3.9455	3.9455
O2	1.3905		1.3961	2.3687	2.0057	2.0587	2.0587	2.0463	2.0463	3.3158	2.6317	2.6317
C3	2.3410	1.3961		1.5182	3.2524	2.6417	2.6417	1.0931	1.0931	2.1566	2.1533	2.1533
C4	3.6529	2.3687	1.5182		4.3731	4.0248	4.0248	2.1592	2.1592	1.0885	1.0870	1.0870
H5	1.0847	2.0057	3.2524	4.3731		1.7708	1.7708	3.5831	3.5831	5.3085	4.5201	4.5201
H6	1.0919	2.0587	2.6417	4.0248	1.7708		1.7715	3.0064	2.4334	4.7257	4.2034	4.5595
H7	1.0919	2.0587	2.6417	4.0248	1.7708	1.7715		2.4334	3.0064	4.7257	4.5595	4.2034
H8	2.6081	2.0463	1.0931	2.1592	3.5831	3.0064	2.4334		1.7596	2.4968	3.0611	2.5041
H9	2.6081	2.0463	1.0931	2.1592	3.5831	2.4334	3.0064	1.7596		2.4968	2.5041	3.0611
H10	4.4793	3.3158	2.1566	1.0885	5.3085	4.7257	4.7257	2.4968	2.4968		1.7665	1.7665
H11	3.9455	2.6317	2.1533	1.0870	4.5201	4.2034	4.5595	3.0611	2.5041	1.7665		1.7615
H12	3.9455	2.6317	2.1533	1.0870	4.5201	4.5595	4.2034	2.5041	3.0611	1.7665	1.7615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	114.301	O2	C1	H5	107.611
O2	C1	H6	111.494	O2	C1	H7	111.494
O2	C3	C4	108.663	O2	C3	H8	109.987
O2	C3	H9	109.987	C3	C4	H10	110.571
C3	C4	H11	110.395	C3	C4	H12	110.395
C4	C3	H8	110.502	C4	C3	H9	110.502
H5	C1	H6	108.882	H5	C1	H7	108.882
H6	C1	H7	108.416	H8	C3	H9	107.195
H10	C4	H11	108.583	H10	C4	H12	108.583
H11	C4	H12	108.246

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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