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	hartrees
Energy at 0K	-36.722104
Energy at 298.15K	-36.731158
HF Energy	-36.722104
Nuclear repulsion energy	77.913110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3000	48.92
2	A'	3243	2959	61.99
3	A'	3157	2881	29.87
4	A'	3131	2857	130.55
5	A'	3120	2847	27.39
6	A'	1668	1522	1.99
7	A'	1641	1497	5.56
8	A'	1637	1494	7.76
9	A'	1601	1460	0.03
10	A'	1562	1425	28.51
11	A'	1532	1398	19.41
12	A'	1331	1215	56.14
13	A'	1238	1129	142.08
14	A'	1205	1099	21.21
15	A'	1098	1002	18.84
16	A'	913	833	17.96
17	A'	476	434	1.16
18	A'	290	264	4.46
19	A"	3261	2976	69.98
20	A"	3201	2921	106.95
21	A"	3172	2895	58.55
22	A"	1628	1486	7.94
23	A"	1620	1478	5.05
24	A"	1401	1278	1.70
25	A"	1290	1178	16.07
26	A"	1253	1144	0.52
27	A"	894	815	0.09
28	A"	258	235	3.44
29	A"	197	180	4.27
30	A"	107	98	5.68

Atom	x (Å)	y (Å)	z (Å)
C1	1.275	1.348	0.000
O2	0.000	0.696	0.000
C3	0.031	-0.743	0.000
C4	-1.409	-1.247	0.000
H5	1.085	2.412	0.000
H6	1.849	1.085	0.887
H7	1.849	1.085	-0.887
H8	0.567	-1.094	-0.882
H9	0.567	-1.094	0.882
H10	-1.431	-2.334	0.000
H11	-1.934	-0.889	0.879
H12	-1.934	-0.889	-0.879

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4321	2.4330	3.7337	1.0809	1.0894	1.0894	2.6918	2.6918	4.5701	4.0089	4.0089
O2	1.4321		1.4390	2.4003	2.0304	2.0876	2.0876	2.0747	2.0747	3.3512	2.6500	2.6500
C3	2.4330	1.4390		1.5262	3.3263	2.7261	2.7261	1.0905	1.0905	2.1615	2.1575	2.1575
C4	3.7337	2.4003	1.5262		4.4284	4.1039	4.1039	2.1697	2.1697	1.0874	1.0847	1.0847
H5	1.0809	2.0304	3.3263	4.4284		1.7706	1.7706	3.6527	3.6527	5.3722	4.5584	4.5584
H6	1.0894	2.0876	2.7261	4.1039	1.7706		1.7745	3.0859	2.5281	4.8207	4.2666	4.6178
H7	1.0894	2.0876	2.7261	4.1039	1.7706	1.7745		2.5281	3.0859	4.8207	4.6178	4.2666
H8	2.6918	2.0747	1.0905	2.1697	3.6527	3.0859	2.5281		1.7648	2.5121	3.0658	2.5091
H9	2.6918	2.0747	1.0905	2.1697	3.6527	2.5281	3.0859	1.7648		2.5121	2.5091	3.0658
H10	4.5701	3.3512	2.1615	1.0874	5.3722	4.8207	4.8207	2.5121	2.5121		1.7650	1.7650
H11	4.0089	2.6500	2.1575	1.0847	4.5584	4.2666	4.6178	3.0658	2.5091	1.7650		1.7585
H12	4.0089	2.6500	2.1575	1.0847	4.5584	4.6178	4.2666	2.5091	3.0658	1.7650	1.7585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	115.860	O2	C1	H5	106.966
O2	C1	H6	111.044	O2	C1	H7	111.044
O2	C3	C4	108.056	O2	C3	H8	109.440
O2	C3	H9	109.440	C3	C4	H10	110.469
C3	C4	H11	110.308	C3	C4	H12	110.308
C4	C3	H8	110.931	C4	C3	H9	110.931
H5	C1	H6	109.339	H5	C1	H7	109.339
H6	C1	H7	109.065	H8	C3	H9	108.027
H10	C4	H11	108.697	H10	C4	H12	108.697
H11	C4	H12	108.303

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

using model chemistry: HF/CEP-121G

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	-0.216
2	O	-0.436
3	C	-0.002
4	C	-0.429
5	H	0.166
6	H	0.129
7	H	0.129
8	H	0.111
9	H	0.111
10	H	0.131
11	H	0.153
12	H	0.153

	x	y	z	Total
	1.571	-0.959	0.000	1.841
CHELPG
AIM
ESP

	x	y	z
x	5.583	0.563	0.000
y	0.563	5.921	0.000
z	0.000	0.000	5.070

<r²>	89.650
(<r²>)^1/2	9.468

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

using model chemistry: HF/CEP-121G

States and conformations

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