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	hartrees
Energy at 0K	-194.306317
Energy at 298.15K	-194.315156
HF Energy	-194.306317
Nuclear repulsion energy	132.154134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3030	3018	34.73
2	A'	3026	3014	32.67
3	A'	2964	2952	21.04
4	A'	2879	2868	104.01
5	A'	2860	2849	41.51
6	A'	1494	1488	1.23
7	A'	1471	1465	0.51
8	A'	1463	1457	11.40
9	A'	1436	1431	0.13
10	A'	1384	1378	31.74
11	A'	1363	1357	3.64
12	A'	1190	1185	20.77
13	A'	1082	1077	3.39
14	A'	1076	1072	156.92
15	A'	978	974	13.63
16	A'	826	823	15.93
17	A'	451	449	0.47
18	A'	278	277	2.46
19	A"	3030	3019	36.21
20	A"	2909	2898	78.92
21	A"	2880	2869	86.95
22	A"	1447	1441	7.37
23	A"	1441	1436	4.63
24	A"	1259	1254	1.36
25	A"	1160	1156	9.16
26	A"	1127	1122	0.00
27	A"	809	806	0.24
28	A"	256	255	2.12
29	A"	206	205	0.85
30	A"	111	111	2.75

Atom	x (Å)	y (Å)	z (Å)
C1	1.314	1.278	0.000
O2	0.000	0.717	0.000
C3	0.011	-0.718	0.000
C4	-1.437	-1.207	0.000
H5	1.196	2.368	0.000
H6	1.889	0.978	0.898
H7	1.889	0.978	-0.898
H8	0.551	-1.094	-0.893
H9	0.551	-1.094	0.893
H10	-1.473	-2.306	0.000
H11	-1.966	-0.840	0.890
H12	-1.966	-0.840	-0.890

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4285	2.3837	3.7072	1.0972	1.1077	1.1077	2.6469	2.6469	4.5402	4.0045	4.0045
O2	1.4285		1.4359	2.4020	2.0390	2.1081	2.1081	2.0936	2.0936	3.3635	2.6615	2.6615
C3	2.3837	1.4359		1.5286	3.3067	2.6855	2.6855	1.1091	1.1091	2.1736	2.1718	2.1718
C4	3.7072	2.4020	1.5286		4.4408	4.0801	4.0801	2.1823	2.1823	1.0998	1.0987	1.0987
H5	1.0972	2.0390	3.3067	4.4408		1.7944	1.7944	3.6339	3.6339	5.3834	4.5922	4.5922
H6	1.1077	2.1081	2.6855	4.0801	1.7944		1.7960	3.0487	2.4670	4.7854	4.2625	4.6225
H7	1.1077	2.1081	2.6855	4.0801	1.7944	1.7960		2.4670	3.0487	4.7854	4.6225	4.2625
H8	2.6469	2.0936	1.1091	2.1823	3.6339	3.0487	2.4670		1.7863	2.5225	3.0951	2.5296
H9	2.6469	2.0936	1.1091	2.1823	3.6339	2.4670	3.0487	1.7863		2.5225	2.5296	3.0951
H10	4.5402	3.3635	2.1736	1.0998	5.3834	4.7854	4.7854	2.5225	2.5225		1.7849	1.7849
H11	4.0045	2.6615	2.1718	1.0987	4.5922	4.2625	4.6225	3.0951	2.5296	1.7849		1.7807
H12	4.0045	2.6615	2.1718	1.0987	4.5922	4.6225	4.2625	2.5296	3.0951	1.7849	1.7807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.644	O2	C1	H5	106.932
O2	C1	H6	111.816	O2	C1	H7	111.816
O2	C3	C4	108.200	O2	C3	H8	110.034
O2	C3	H9	110.034	C3	C4	H10	110.519
C3	C4	H11	110.439	C3	C4	H12	110.439
C4	C3	H8	110.651	C4	C3	H9	110.651
H5	C1	H6	108.939	H5	C1	H7	108.939
H6	C1	H7	108.327	H8	C3	H9	107.277
H10	C4	H11	108.556	H10	C4	H12	108.556
H11	C4	H12	108.262

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

using model chemistry: BLYP/6-311G**

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	-0.105
2	O	-0.338
3	C	-0.019
4	C	-0.291
5	H	0.110
6	H	0.082
7	H	0.082
8	H	0.082
9	H	0.082
10	H	0.097
11	H	0.109
12	H	0.109

	x	y	z	Total
	0.944	-0.635	0.000	1.138
CHELPG
AIM
ESP

	x	y	z
x	6.708	0.910	0.000
y	0.910	6.733	0.000
z	0.000	0.000	5.671

<r²>	105.535
(<r²>)^1/2	10.273

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

using model chemistry: BLYP/6-311G**

States and conformations

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