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	hartrees
Energy at 0K	-194.049889
Energy at 298.15K	-194.058818
HF Energy	-194.049889
Nuclear repulsion energy	132.390411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3049	23.72
2	A'	3171	3031	24.59
3	A'	3081	2945	15.91
4	A'	3019	2886	71.01
5	A'	3002	2870	36.91
6	A'	1573	1504	2.27
7	A'	1551	1482	1.56
8	A'	1545	1477	15.28
9	A'	1505	1438	0.83
10	A'	1461	1397	22.82
11	A'	1434	1371	13.52
12	A'	1234	1180	28.00
13	A'	1152	1101	78.22
14	A'	1136	1086	39.52
15	A'	1050	1004	14.78
16	A'	859	821	11.18
17	A'	465	444	1.08
18	A'	281	269	4.41
19	A"	3180	3040	26.20
20	A"	3082	2946	65.72
21	A"	3043	2909	68.74
22	A"	1529	1462	15.41
23	A"	1529	1461	2.55
24	A"	1318	1260	0.19
25	A"	1209	1156	10.56
26	A"	1169	1118	0.05
27	A"	855	817	1.51
28	A"	256	244	2.91
29	A"	205	196	1.62
30	A"	114	109	5.15

Atom	x (Å)	y (Å)	z (Å)
C1	1.315	1.284	0.000
O2	0.000	0.709	0.000
C3	0.008	-0.734	0.000
C4	-1.431	-1.197	0.000
H5	1.180	2.366	0.000
H6	1.886	0.990	0.893
H7	1.886	0.990	-0.893
H8	0.544	-1.105	-0.889
H9	0.544	-1.105	0.889
H10	-1.487	-2.291	0.000
H11	-1.951	-0.820	0.886
H12	-1.951	-0.820	-0.886

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4352	2.4041	3.7012	1.0904	1.1000	1.1000	2.6629	2.6629	4.5420	3.9843	3.9843
O2	1.4352		1.4426	2.3836	2.0346	2.1051	2.1051	2.0917	2.0917	3.3478	2.6319	2.6319
C3	2.4041	1.4426		1.5123	3.3142	2.7006	2.7006	1.1023	1.1023	2.1585	2.1514	2.1514
C4	3.7012	2.3836	1.5123		4.4179	4.0722	4.0722	2.1685	2.1685	1.0949	1.0937	1.0937
H5	1.0904	2.0346	3.3142	4.4179		1.7860	1.7860	3.6390	3.6390	5.3665	4.5539	4.5539
H6	1.1000	2.1051	2.7006	4.0722	1.7860		1.7860	3.0595	2.4872	4.7888	4.2416	4.5995
H7	1.1000	2.1051	2.7006	4.0722	1.7860	1.7860		2.4872	3.0595	4.7888	4.5995	4.2416
H8	2.6629	2.0917	1.1023	2.1685	3.6390	3.0595	2.4872		1.7774	2.5145	3.0749	2.5112
H9	2.6629	2.0917	1.1023	2.1685	3.6390	2.4872	3.0595	1.7774		2.5145	2.5112	3.0749
H10	4.5420	3.3478	2.1585	1.0949	5.3665	4.7888	4.7888	2.5145	2.5145		1.7782	1.7782
H11	3.9843	2.6319	2.1514	1.0937	4.5539	4.2416	4.5995	3.0749	2.5112	1.7782		1.7716
H12	3.9843	2.6319	2.1514	1.0937	4.5539	4.5995	4.2416	2.5112	3.0749	1.7782	1.7716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	113.317	O2	C1	H5	106.541
O2	C1	H6	111.596	O2	C1	H7	111.596
O2	C3	C4	107.517	O2	C3	H8	109.834
O2	C3	H9	109.834	C3	C4	H10	110.746
C3	C4	H11	110.252	C3	C4	H12	110.252
C4	C3	H8	111.102	C4	C3	H9	111.102
H5	C1	H6	109.252	H5	C1	H7	109.252
H6	C1	H7	108.553	H8	C3	H9	107.460
H10	C4	H11	108.678	H10	C4	H12	108.678
H11	C4	H12	108.169

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

using model chemistry: PBE1PBE/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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Number	Element	Mulliken
1	C	-0.228
2	O	-0.533
3	C	-0.060
4	C	-0.496
5	H	0.187
6	H	0.152
7	H	0.152
8	H	0.149
9	H	0.149
10	H	0.160
11	H	0.183
12	H	0.183

	x	y	z	Total
	1.291	-0.882	0.000	1.564
CHELPG
AIM
ESP

	x	y	z
x	5.628	0.724	0.000
y	0.724	5.875	0.000
z	0.000	0.000	4.902

<r²>	104.600
(<r²>)^1/2	10.227

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

using model chemistry: PBE1PBE/6-31G

States and conformations

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