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	hartrees
Energy at 0K	-194.142517
Energy at 298.15K	-194.151483
HF Energy	-194.142517
Nuclear repulsion energy	133.809784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3015	26.96
2	A'	3155	3013	23.22
3	A'	3070	2931	17.96
4	A'	2998	2863	94.49
5	A'	2981	2846	44.38
6	A'	1531	1462	2.47
7	A'	1507	1439	3.35
8	A'	1501	1433	8.63
9	A'	1478	1411	0.92
10	A'	1433	1368	37.32
11	A'	1394	1331	1.62
12	A'	1245	1189	71.01
13	A'	1193	1139	123.02
14	A'	1122	1071	4.70
15	A'	1057	1009	21.28
16	A'	881	841	10.72
17	A'	470	449	0.59
18	A'	290	276	3.00
19	A"	3160	3017	24.82
20	A"	3051	2913	56.89
21	A"	3014	2878	73.20
22	A"	1489	1422	10.49
23	A"	1484	1417	5.94
24	A"	1302	1243	2.22
25	A"	1198	1143	10.45
26	A"	1168	1115	0.23
27	A"	823	786	0.43
28	A"	263	251	2.34
29	A"	212	203	1.55
30	A"	118	113	3.31

Atom	x (Å)	y (Å)	z (Å)
C1	1.312	1.239	0.000
O2	0.012	0.710	0.000
C3	0.000	-0.701	0.000
C4	-1.435	-1.175	0.000
H5	1.222	2.328	0.000
H6	1.876	0.928	0.893
H7	1.876	0.928	-0.893
H8	0.535	-1.080	-0.888
H9	0.535	-1.080	0.888
H10	-1.476	-2.269	0.000
H11	-1.961	-0.808	0.886
H12	-1.961	-0.808	-0.886

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4037	2.3418	3.6571	1.0921	1.1015	1.1015	2.6021	2.6021	4.4808	3.9606	3.9606
O2	1.4037		1.4101	2.3760	2.0205	2.0786	2.0786	2.0648	2.0648	3.3291	2.6419	2.6419
C3	2.3418	1.4101		1.5116	3.2655	2.6399	2.6399	1.1036	1.1036	2.1535	2.1544	2.1544
C4	3.6571	2.3760	1.5116		4.3964	4.0230	4.0230	2.1628	2.1628	1.0945	1.0937	1.0937
H5	1.0921	2.0205	3.2655	4.3964		1.7848	1.7848	3.5878	3.5878	5.3296	4.5549	4.5549
H6	1.1015	2.0786	2.6399	4.0230	1.7848		1.7865	3.0005	2.4146	4.7171	4.2112	4.5717
H7	1.1015	2.0786	2.6399	4.0230	1.7848	1.7865		2.4146	3.0005	4.7171	4.5717	4.2112
H8	2.6021	2.0648	1.1036	2.1628	3.5878	3.0005	2.4146		1.7759	2.4988	3.0738	2.5100
H9	2.6021	2.0648	1.1036	2.1628	3.5878	2.4146	3.0005	1.7759		2.4988	2.5100	3.0738
H10	4.4808	3.3291	2.1535	1.0945	5.3296	4.7171	4.7171	2.4988	2.4988		1.7759	1.7759
H11	3.9606	2.6419	2.1544	1.0937	4.5549	4.2112	4.5717	3.0738	2.5100	1.7759		1.7726
H12	3.9606	2.6419	2.1544	1.0937	4.5549	4.5717	4.2112	2.5100	3.0738	1.7759	1.7726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.660	O2	C1	H5	107.453
O2	C1	H6	111.571	O2	C1	H7	111.571
O2	C3	C4	108.773	O2	C3	H8	109.849
O2	C3	H9	109.849	C3	C4	H10	110.422
C3	C4	H11	110.541	C3	C4	H12	110.541
C4	C3	H8	110.612	C4	C3	H9	110.612
H5	C1	H6	108.903	H5	C1	H7	108.903
H6	C1	H7	108.376	H8	C3	H9	107.136
H10	C4	H11	108.502	H10	C4	H12	108.502
H11	C4	H12	108.262

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

using model chemistry: HSEh1PBE/6-31+G**

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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Number	Element	Mulliken
1	C	-0.234
2	O	-0.320
3	C	-0.080
4	C	-0.604
5	H	0.162
6	H	0.139
7	H	0.139
8	H	0.137
9	H	0.137
10	H	0.163
11	H	0.180
12	H	0.180

	x	y	z
x	6.526	0.673	0.000
y	0.673	6.482	0.000
z	0.000	0.000	5.632

<r²>	103.109
(<r²>)^1/2	10.154

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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