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	hartrees
Energy at 0K	-192.475351
Energy at 298.15K	-192.484265
HF Energy	-192.034228
Nuclear repulsion energy	130.832762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3110	2989	23.73
2	A'	3104	2983	29.28
3	A'	3042	2924	12.82
4	A'	2980	2864	59.41
5	A'	2973	2858	17.57
6	A'	1610	1548	0.58
7	A'	1591	1529	6.82
8	A'	1580	1519	6.50
9	A'	1519	1460	2.12
10	A'	1471	1414	8.56
11	A'	1437	1381	35.75
12	A'	1226	1179	19.80
13	A'	1128	1084	3.32
14	A'	1102	1059	83.89
15	A'	985	947	4.47
16	A'	834	801	8.85
17	A'	452	435	1.35
18	A'	275	264	4.11
19	A"	3118	2997	25.49
20	A"	3015	2897	65.76
21	A"	3000	2883	54.44
22	A"	1565	1504	6.03
23	A"	1564	1503	2.69
24	A"	1330	1279	0.00
25	A"	1216	1169	8.27
26	A"	1169	1123	0.02
27	A"	865	832	0.55
28	A"	261	251	3.29
29	A"	213	205	0.67
30	A"	114	110	4.59

Atom	x (Å)	y (Å)	z (Å)
C1	1.365	1.259	0.000
O2	0.000	0.723	0.000
C3	0.003	-0.746	0.000
C4	-1.478	-1.173	0.000
H5	1.263	2.350	0.000
H6	1.928	0.943	0.895
H7	1.928	0.943	-0.895
H8	0.524	-1.134	-0.893
H9	0.524	-1.134	0.893
H10	-1.567	-2.268	0.000
H11	-1.972	-0.766	0.891
H12	-1.972	-0.766	-0.891

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4663	2.4239	3.7407	1.0961	1.1038	1.1038	2.6891	2.6891	4.5863	4.0043	4.0043
O2	1.4663		1.4695	2.4038	2.0598	2.1373	2.1373	2.1266	2.1266	3.3767	2.6275	2.6275
C3	2.4239	1.4695		1.5408	3.3431	2.7133	2.7133	1.1045	1.1045	2.1863	2.1671	2.1671
C4	3.7407	2.4038	1.5408		4.4635	4.1083	4.1083	2.1923	2.1923	1.0987	1.0973	1.0973
H5	1.0961	2.0598	3.3431	4.4635		1.7954	1.7954	3.6721	3.6721	5.4163	4.5801	4.5801
H6	1.1038	2.1373	2.7133	4.1083	1.7954		1.7906	3.0798	2.5072	4.8299	4.2587	4.6183
H7	1.1038	2.1373	2.7133	4.1083	1.7954	1.7906		2.5072	3.0798	4.8299	4.6183	4.2587
H8	2.6891	2.1266	1.1045	2.1923	3.6721	3.0798	2.5072		1.7864	2.5408	3.0906	2.5233
H9	2.6891	2.1266	1.1045	2.1923	3.6721	2.5072	3.0798	1.7864		2.5408	2.5233	3.0906
H10	4.5863	3.3767	2.1863	1.0987	5.4163	4.8299	4.8299	2.5408	2.5408		1.7923	1.7923
H11	4.0043	2.6275	2.1671	1.0973	4.5801	4.2587	4.6183	3.0906	2.5233	1.7923		1.7826
H12	4.0043	2.6275	2.1671	1.0973	4.5801	4.6183	4.2587	2.5233	3.0906	1.7923	1.7826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.306	O2	C1	H5	106.094
O2	C1	H6	111.744	O2	C1	H7	111.744
O2	C3	C4	105.953	O2	C3	H8	110.621
O2	C3	H9	110.621	C3	C4	H10	110.734
C3	C4	H11	109.313	C3	C4	H12	109.313
C4	C3	H8	110.869	C4	C3	H9	110.869
H5	C1	H6	109.401	H5	C1	H7	109.401
H6	C1	H7	108.409	H8	C3	H9	107.934
H10	C4	H11	109.403	H10	C4	H12	109.403
H11	C4	H12	108.643

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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