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	hartrees
Energy at 0K	-193.315095
Energy at 298.15K	-193.324047
HF Energy	-193.315095
Nuclear repulsion energy	134.479470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3096	3037	12.73
2	A'	3076	3017	21.00
3	A'	3004	2947	10.33
4	A'	2898	2843	75.40
5	A'	2873	2819	43.31
6	A'	1499	1470	3.31
7	A'	1470	1442	3.67
8	A'	1460	1433	9.71
9	A'	1436	1409	2.99
10	A'	1391	1365	43.15
11	A'	1347	1322	1.09
12	A'	1237	1214	150.69
13	A'	1191	1168	26.09
14	A'	1103	1082	4.48
15	A'	1064	1044	23.93
16	A'	877	860	5.55
17	A'	468	459	0.65
18	A'	285	280	3.12
19	A"	3091	3032	14.42
20	A"	2939	2884	49.65
21	A"	2896	2841	85.57
22	A"	1441	1414	11.83
23	A"	1438	1411	6.60
24	A"	1258	1234	1.85
25	A"	1175	1153	9.14
26	A"	1139	1117	0.93
27	A"	804	788	1.52
28	A"	276	271	2.08
29	A"	221	217	0.46
30	A"	128	126	2.47

Atom	x (Å)	y (Å)	z (Å)
C1	1.300	1.213	0.000
O2	0.003	0.712	0.000
C3	0.000	-0.685	0.000
C4	-1.423	-1.161	0.000
H5	1.240	2.313	0.000
H6	1.872	0.885	0.898
H7	1.872	0.885	-0.898
H8	0.548	-1.070	-0.893
H9	0.548	-1.070	0.893
H10	-1.469	-2.263	0.000
H11	-1.952	-0.788	0.892
H12	-1.952	-0.788	-0.892

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3901	2.3002	3.6125	1.1020	1.1141	1.1141	2.5642	2.5642	4.4436	3.9211	3.9211
O2	1.3901		1.3967	2.3543	2.0234	2.0807	2.0807	2.0667	2.0667	3.3190	2.6209	2.6209
C3	2.3002	1.3967		1.5003	3.2444	2.6032	2.6032	1.1167	1.1167	2.1557	2.1486	2.1486
C4	3.6125	2.3543	1.5003		4.3777	3.9814	3.9814	2.1658	2.1658	1.1023	1.1026	1.1026
H5	1.1020	2.0234	3.2444	4.3777		1.8014	1.8014	3.5672	3.5672	5.3177	4.5392	4.5392
H6	1.1141	2.0807	2.6032	3.9814	1.8014		1.7962	2.9639	2.3615	4.6774	4.1742	4.5419
H7	1.1141	2.0807	2.6032	3.9814	1.8014	1.7962		2.3615	2.9639	4.6774	4.5419	4.1742
H8	2.5642	2.0667	1.1167	2.1658	3.5672	2.9639	2.3615		1.7860	2.5075	3.0852	2.5162
H9	2.5642	2.0667	1.1167	2.1658	3.5672	2.3615	2.9639	1.7860		2.5075	2.5162	3.0852
H10	4.4436	3.3190	2.1557	1.1023	5.3177	4.6774	4.6774	2.5075	2.5075		1.7901	1.7901
H11	3.9211	2.6209	2.1486	1.1026	4.5392	4.1742	4.5419	3.0852	2.5162	1.7901		1.7846
H12	3.9211	2.6209	2.1486	1.1026	4.5392	4.5419	4.1742	2.5162	3.0852	1.7901	1.7846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.254	O2	C1	H5	108.007
O2	C1	H6	111.908	O2	C1	H7	111.908
O2	C3	C4	108.662	O2	C3	H8	110.132
O2	C3	H9	110.132	C3	C4	H10	110.917
C3	C4	H11	110.337	C3	C4	H12	110.337
C4	C3	H8	110.853	C4	C3	H9	110.853
H5	C1	H6	108.752	H5	C1	H7	108.752
H6	C1	H7	107.435	H8	C3	H9	106.201
H10	C4	H11	108.558	H10	C4	H12	108.558
H11	C4	H12	108.055

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

using model chemistry: SVWN/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	-0.313
2	O	-0.369
3	C	-0.098
4	C	-0.549
5	H	0.187
6	H	0.153
7	H	0.153
8	H	0.141
9	H	0.141
10	H	0.175
11	H	0.190
12	H	0.190

	x	y	z	Total
	0.805	-0.626	0.000	1.019
CHELPG
AIM
ESP

	x	y	z
x	5.972	0.745	0.000
y	0.745	6.077	0.000
z	0.000	0.000	5.254

<r²>	101.472
(<r²>)^1/2	10.073

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

using model chemistry: SVWN/6-31G*

States and conformations

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