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	hartrees
Energy at 0K	-193.403427
Energy at 298.15K	-193.412383
HF Energy	-193.017788
Nuclear repulsion energy	131.628813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3013	28.93
2	A'	3180	2982	31.95
3	A'	3106	2912	17.16
4	A'	3066	2875	64.09
5	A'	3049	2859	30.71
6	A'	1620	1519	0.79
7	A'	1595	1496	4.92
8	A'	1589	1490	7.38
9	A'	1547	1451	0.24
10	A'	1512	1418	15.07
11	A'	1479	1387	24.59
12	A'	1266	1188	28.06
13	A'	1170	1097	32.16
14	A'	1147	1076	80.11
15	A'	1052	986	13.62
16	A'	865	811	13.98
17	A'	469	440	1.21
18	A'	285	268	4.50
19	A"	3195	2997	33.62
20	A"	3121	2927	68.44
21	A"	3082	2890	61.28
22	A"	1578	1479	6.60
23	A"	1575	1477	4.35
24	A"	1351	1267	0.14
25	A"	1244	1167	12.09
26	A"	1198	1124	0.35
27	A"	872	818	0.32
28	A"	260	244	2.97
29	A"	200	187	2.95
30	A"	108	101	5.55

Atom	x (Å)	y (Å)	z (Å)
C1	1.316	1.312	0.000
O2	0.000	0.707	0.000
C3	0.015	-0.746	0.000
C4	-1.436	-1.215	0.000
H5	1.155	2.390	0.000
H6	1.885	1.024	0.894
H7	1.885	1.024	-0.894
H8	0.551	-1.110	-0.889
H9	0.551	-1.110	0.889
H10	-1.488	-2.309	0.000
H11	-1.952	-0.837	0.887
H12	-1.952	-0.837	-0.887

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4480	2.4348	3.7358	1.0897	1.0981	1.0981	2.6914	2.6914	4.5796	4.0106	4.0106
O2	1.4480		1.4532	2.3992	2.0411	2.1097	2.1097	2.0969	2.0969	3.3634	2.6425	2.6425
C3	2.4348	1.4532		1.5244	3.3369	2.7255	2.7255	1.1002	1.1002	2.1682	2.1595	2.1595
C4	3.7358	2.3992	1.5244		4.4394	4.1033	4.1033	2.1790	2.1790	1.0956	1.0935	1.0935
H5	1.0897	2.0411	3.3369	4.4394		1.7880	1.7880	3.6617	3.6617	5.3915	4.5670	4.5670
H6	1.0981	2.1097	2.7255	4.1033	1.7880		1.7878	3.0843	2.5169	4.8252	4.2644	4.6213
H7	1.0981	2.1097	2.7255	4.1033	1.7880	1.7878		2.5169	3.0843	4.8252	4.6213	4.2644
H8	2.6914	2.0969	1.1002	2.1790	3.6617	3.0843	2.5169		1.7778	2.5265	3.0811	2.5180
H9	2.6914	2.0969	1.1002	2.1790	3.6617	2.5169	3.0843	1.7778		2.5265	2.5180	3.0811
H10	4.5796	3.3634	2.1682	1.0956	5.3915	4.8252	4.8252	2.5265	2.5265		1.7803	1.7803
H11	4.0106	2.6425	2.1595	1.0935	4.5670	4.2644	4.6213	3.0811	2.5180	1.7803		1.7736
H12	4.0106	2.6425	2.1595	1.0935	4.5670	4.6213	4.2644	2.5180	3.0811	1.7803	1.7736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	114.116	O2	C1	H5	106.229
O2	C1	H6	111.171	O2	C1	H7	111.171
O2	C3	C4	107.338	O2	C3	H8	109.641
O2	C3	H9	109.641	C3	C4	H10	110.626
C3	C4	H11	110.065	C3	C4	H12	110.065
C4	C3	H8	111.212	C4	C3	H9	111.212
H5	C1	H6	109.619	H5	C1	H7	109.619
H6	C1	H7	108.990	H8	C3	H9	107.793
H10	C4	H11	108.827	H10	C4	H12	108.827
H11	C4	H12	108.379

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

using model chemistry: CISD/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: CISD/6-31G

States and conformations

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