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	hartrees
Energy at 0K	-193.282135
Energy at 298.15K	-193.291044
HF Energy	-193.282135
Nuclear repulsion energy	131.587615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3135	3025	23.65
2	A'	3127	3017	28.46
3	A'	3067	2959	13.21
4	A'	2990	2885	72.69
5	A'	2978	2873	25.24
6	A'	1596	1540	0.72
7	A'	1578	1522	5.56
8	A'	1568	1513	11.63
9	A'	1510	1457	0.94
10	A'	1458	1407	10.78
11	A'	1423	1373	31.86
12	A'	1215	1172	21.43
13	A'	1123	1084	8.31
14	A'	1098	1060	107.96
15	A'	996	961	6.05
16	A'	838	809	9.80
17	A'	452	436	1.18
18	A'	274	264	3.98
19	A"	3141	3031	25.88
20	A"	3021	2915	76.64
21	A"	3006	2901	60.05
22	A"	1551	1497	9.91
23	A"	1550	1496	2.96
24	A"	1321	1275	0.01
25	A"	1200	1157	7.56
26	A"	1155	1115	0.13
27	A"	865	834	1.26
28	A"	260	251	3.04
29	A"	211	204	0.37
30	A"	112	108	4.61

Atom	x (Å)	y (Å)	z (Å)
C1	1.346	1.263	0.000
O2	0.000	0.717	0.000
C3	0.005	-0.742	0.000
C4	-1.461	-1.175	0.000
H5	1.235	2.350	0.000
H6	1.917	0.959	0.892
H7	1.917	0.959	-0.892
H8	0.526	-1.130	-0.890
H9	0.526	-1.130	0.890
H10	-1.543	-2.267	0.000
H11	-1.960	-0.776	0.887
H12	-1.960	-0.776	-0.887

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4528	2.4116	3.7182	1.0923	1.1012	1.1012	2.6811	2.6811	4.5611	3.9843	3.9843
O2	1.4528		1.4582	2.3903	2.0473	2.1279	2.1279	2.1160	2.1160	3.3586	2.6185	2.6185
C3	2.4116	1.4582		1.5292	3.3267	2.7096	2.7096	1.1017	1.1017	2.1732	2.1568	2.1568
C4	3.7182	2.3903	1.5292		4.4375	4.0940	4.0940	2.1781	2.1781	1.0946	1.0936	1.0936
H5	1.0923	2.0473	3.3267	4.4375		1.7868	1.7868	3.6604	3.6604	5.3874	4.5565	4.5565
H6	1.1012	2.1279	2.7096	4.0940	1.7868		1.7833	3.0775	2.5094	4.8136	4.2474	4.6049
H7	1.1012	2.1279	2.7096	4.0940	1.7868	1.7833		2.5094	3.0775	4.8136	4.6049	4.2474
H8	2.6811	2.1160	1.1017	2.1781	3.6604	3.0775	2.5094		1.7796	2.5232	3.0768	2.5116
H9	2.6811	2.1160	1.1017	2.1781	3.6604	2.5094	3.0775	1.7796		2.5232	2.5116	3.0768
H10	4.5611	3.3586	2.1732	1.0946	5.3874	4.8136	4.8136	2.5232	2.5232		1.7845	1.7845
H11	3.9843	2.6185	2.1568	1.0936	4.5565	4.2474	4.6049	3.0768	2.5116	1.7845		1.7748
H12	3.9843	2.6185	2.1568	1.0936	4.5565	4.6049	4.2474	2.5116	3.0768	1.7845	1.7748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.879	O2	C1	H5	106.241
O2	C1	H6	112.116	O2	C1	H7	112.116
O2	C3	C4	106.257	O2	C3	H8	110.730
O2	C3	H9	110.730	C3	C4	H10	110.748
C3	C4	H11	109.512	C3	C4	H12	109.512
C4	C3	H8	110.713	C4	C3	H9	110.713
H5	C1	H6	109.084	H5	C1	H7	109.084
H6	C1	H7	108.128	H8	C3	H9	107.731
H10	C4	H11	109.277	H10	C4	H12	109.277
H11	C4	H12	108.477

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

using model chemistry: B3LYP/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	-0.309
2	O	-0.481
3	C	-0.119
4	C	-0.570
5	H	0.203
6	H	0.171
7	H	0.171
8	H	0.171
9	H	0.171
10	H	0.183
11	H	0.205
12	H	0.205

	x	y	z	Total
	1.146	-0.761	0.000	1.376
CHELPG
AIM
ESP

	x	y	z
x	5.462	0.809	0.000
y	0.809	5.670	0.000
z	0.000	0.000	4.648

<r²>	105.409
(<r²>)^1/2	10.267

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

using model chemistry: B3LYP/3-21G

States and conformations

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