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	hartrees
Energy at 0K	-193.461750
Energy at 298.15K	-193.470619
HF Energy	-193.014983
Nuclear repulsion energy	130.662790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3125	3011	28.55
2	A'	3094	2982	31.41
3	A'	3020	2910	18.67
4	A'	2976	2868	58.10
5	A'	2960	2853	33.04
6	A'	1579	1522	0.63
7	A'	1554	1498	3.34
8	A'	1550	1494	8.49
9	A'	1500	1446	0.46
10	A'	1470	1416	12.11
11	A'	1433	1381	26.54
12	A'	1223	1179	19.78
13	A'	1131	1090	10.10
14	A'	1095	1055	82.75
15	A'	1013	976	16.31
16	A'	825	795	12.71
17	A'	457	440	1.13
18	A'	279	268	4.23
19	A"	3109	2996	33.28
20	A"	3030	2919	66.83
21	A"	2992	2883	62.33
22	A"	1537	1481	4.56
23	A"	1534	1478	5.20
24	A"	1312	1264	0.04
25	A"	1207	1163	10.31
26	A"	1158	1116	0.31
27	A"	850	819	0.30
28	A"	254	245	2.88
29	A"	199	192	2.33
30	A"	107	103	5.15

Atom	x (Å)	y (Å)	z (Å)
C1	1.344	1.298	0.000
O2	0.000	0.719	0.000
C3	0.006	-0.750	0.000
C4	-1.457	-1.205	0.000
H5	1.202	2.386	0.000
H6	1.910	0.995	0.901
H7	1.910	0.995	-0.901
H8	0.543	-1.120	-0.896
H9	0.543	-1.120	0.896
H10	-1.521	-2.307	0.000
H11	-1.972	-0.819	0.893
H12	-1.972	-0.819	-0.893

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4638	2.4466	3.7571	1.0973	1.1060	1.1060	2.7005	2.7005	4.6045	4.0348	4.0348
O2	1.4638		1.4687	2.4137	2.0558	2.1295	2.1295	2.1165	2.1165	3.3860	2.6557	2.6557
C3	2.4466	1.4687		1.5324	3.3567	2.7349	2.7349	1.1082	1.1082	2.1802	2.1715	2.1715
C4	3.7571	2.4137	1.5324		4.4692	4.1217	4.1217	2.1935	2.1935	1.1031	1.1010	1.1010
H5	1.0973	2.0558	3.3567	4.4692		1.8024	1.8024	3.6787	3.6787	5.4256	4.5989	4.5989
H6	1.1060	2.1295	2.7349	4.1217	1.8024		1.8013	3.0930	2.5180	4.8453	4.2849	4.6452
H7	1.1060	2.1295	2.7349	4.1217	1.8024	1.8013		2.5180	3.0930	4.8453	4.6452	4.2849
H8	2.7005	2.1165	1.1082	2.1935	3.6787	3.0930	2.5180		1.7913	2.5434	3.1014	2.5335
H9	2.7005	2.1165	1.1082	2.1935	3.6787	2.5180	3.0930	1.7913		2.5434	2.5335	3.1014
H10	4.6045	3.3860	2.1802	1.1031	5.4256	4.8453	4.8453	2.5434	2.5434		1.7929	1.7929
H11	4.0348	2.6557	2.1715	1.1010	4.5989	4.2849	4.6452	3.1014	2.5335	1.7929		1.7864
H12	4.0348	2.6557	2.1715	1.1010	4.5989	4.6452	4.2849	2.5335	3.1014	1.7929	1.7864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	113.090	O2	C1	H5	105.888
O2	C1	H6	111.159	O2	C1	H7	111.159
O2	C3	C4	107.060	O2	C3	H8	109.638
O2	C3	H9	109.638	C3	C4	H10	110.574
C3	C4	H11	110.021	C3	C4	H12	110.021
C4	C3	H8	111.328	C4	C3	H9	111.328
H5	C1	H6	109.776	H5	C1	H7	109.776
H6	C1	H7	109.041	H8	C3	H9	107.842
H10	C4	H11	108.870	H10	C4	H12	108.870
H11	C4	H12	108.439

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

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

States and conformations

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