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	hartrees
Energy at 0K	-192.261443
Energy at 298.15K	-192.270356
HF Energy	-192.261443
Nuclear repulsion energy	132.744531

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3093	3038	10.41
2	A'	3065	3010	17.19
3	A'	3004	2950	6.98
4	A'	2890	2838	68.01
5	A'	2876	2824	30.16
6	A'	1535	1508	3.95
7	A'	1513	1486	4.75
8	A'	1503	1476	18.31
9	A'	1450	1424	2.02
10	A'	1394	1369	29.97
11	A'	1370	1345	12.81
12	A'	1184	1163	46.05
13	A'	1137	1117	90.56
14	A'	1098	1078	4.36
15	A'	1025	1006	13.12
16	A'	852	837	6.82
17	A'	456	447	1.34
18	A'	272	267	4.44
19	A"	3090	3034	12.18
20	A"	2924	2872	50.40
21	A"	2900	2848	79.86
22	A"	1481	1455	11.99
23	A"	1475	1449	12.07
24	A"	1272	1249	0.01
25	A"	1172	1151	8.15
26	A"	1126	1106	1.13
27	A"	841	826	3.36
28	A"	272	267	2.61
29	A"	215	211	0.09
30	A"	123	120	4.02

Atom	x (Å)	y (Å)	z (Å)
C1	1.332	1.224	0.000
O2	-0.007	0.719	0.000
C3	0.000	-0.718	0.000
C4	-1.444	-1.155	0.000
H5	1.263	2.323	0.000
H6	1.907	0.898	0.897
H7	1.907	0.898	-0.897
H8	0.536	-1.111	-0.896
H9	0.536	-1.111	0.896
H10	-1.527	-2.254	0.000
H11	-1.949	-0.752	0.893
H12	-1.949	-0.752	-0.893

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4306	2.3545	3.6552	1.1019	1.1141	1.1141	2.6247	2.6247	4.5020	3.9327	3.9327
O2	1.4306		1.4368	2.3612	2.0458	2.1212	2.1212	2.1090	2.1090	3.3392	2.5951	2.5951
C3	2.3545	1.4368		1.5082	3.2929	2.6559	2.6559	1.1157	1.1157	2.1660	2.1444	2.1444
C4	3.6552	2.3612	1.5082		4.4069	4.0307	4.0307	2.1732	2.1732	1.1026	1.1027	1.1027
H5	1.1019	2.0458	3.2929	4.4069		1.8030	1.8030	3.6234	3.6234	5.3605	4.5355	4.5355
H6	1.1141	2.1212	2.6559	4.0307	1.8030		1.7941	3.0222	2.4330	4.7471	4.1944	4.5605
H7	1.1141	2.1212	2.6559	4.0307	1.8030	1.7941		2.4330	3.0222	4.7471	4.5605	4.1944
H8	2.6247	2.1090	1.1157	2.1732	3.6234	3.0222	2.4330		1.7916	2.5226	3.0832	2.5110
H9	2.6247	2.1090	1.1157	2.1732	3.6234	2.4330	3.0222	1.7916		2.5226	2.5110	3.0832
H10	4.5020	3.3392	2.1660	1.1026	5.3605	4.7471	4.7471	2.5226	2.5226		1.7981	1.7981
H11	3.9327	2.5951	2.1444	1.1027	4.5355	4.1944	4.5605	3.0832	2.5110	1.7981		1.7867
H12	3.9327	2.5951	2.1444	1.1027	4.5355	4.5605	4.1944	2.5110	3.0832	1.7981	1.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	110.389	O2	C1	H5	107.048
O2	C1	H6	112.333	O2	C1	H7	112.333
O2	C3	C4	106.571	O2	C3	H8	110.800
O2	C3	H9	110.800	C3	C4	H10	111.172
C3	C4	H11	109.451	C3	C4	H12	109.451
C4	C3	H8	110.953	C4	C3	H9	110.953
H5	C1	H6	108.899	H5	C1	H7	108.899
H6	C1	H7	107.253	H8	C3	H9	106.819
H10	C4	H11	109.247	H10	C4	H12	109.247
H11	C4	H12	108.219

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	-0.407
2	O	-0.424
3	C	-0.190
4	C	-0.650
5	H	0.230
6	H	0.193
7	H	0.193
8	H	0.192
9	H	0.192
10	H	0.211
11	H	0.232
12	H	0.232

	x	y	z	Total
	1.012	-0.708	0.000	1.235
CHELPG
AIM
ESP

	x	y	z
x	5.630	0.803	0.000
y	0.803	5.769	0.000
z	0.000	0.000	4.831

<r²>	103.248
(<r²>)^1/2	10.161

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

using model chemistry: LSDA/3-21G*

States and conformations

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