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	hartrees
Energy at 0K	-194.222647
Energy at 298.15K	-194.231536
HF Energy	-194.222647
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3080	3019	35.21
2	A'	3077	3017	39.13
3	A'	3002	2944	21.52
4	A'	2916	2859	106.37
5	A'	2896	2839	42.65
6	A'	1534	1504	0.36
7	A'	1508	1479	2.67
8	A'	1500	1471	8.46
9	A'	1473	1444	0.63
10	A'	1419	1391	37.23
11	A'	1389	1361	10.36
12	A'	1218	1194	31.02
13	A'	1130	1108	159.51
14	A'	1105	1084	4.74
15	A'	1014	994	14.88
16	A'	854	837	12.59
17	A'	463	454	0.44
18	A'	285	279	2.65
19	A"	3084	3024	36.07
20	A"	2953	2895	81.77
21	A"	2923	2866	95.55
22	A"	1486	1457	5.28
23	A"	1482	1453	3.24
24	A"	1285	1260	1.02
25	A"	1189	1166	8.92
26	A"	1154	1131	0.15
27	A"	818	802	0.38
28	A"	264	259	2.22
29	A"	211	207	0.95
30	A"	112	110	2.61

Atom	x (Å)	y (Å)	z (Å)
C1	1.325	1.240	0.000
O2	0.010	0.718	0.000
C3	0.000	-0.706	0.000
C4	-1.448	-1.177	0.000
H5	1.237	2.334	0.000
H6	1.895	0.925	0.897
H7	1.895	0.925	-0.897
H8	0.536	-1.091	-0.891
H9	0.536	-1.091	0.891
H10	-1.492	-2.276	0.000
H11	-1.973	-0.805	0.891
H12	-1.973	-0.805	-0.891

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4153	2.3540	3.6788	1.0976	1.1081	1.1081	2.6177	2.6177	4.5053	3.9817	3.9817
O2	1.4153		1.4233	2.3907	2.0298	2.0977	2.0977	2.0844	2.0844	3.3491	2.6539	2.6539
C3	2.3540	1.4233		1.5229	3.2819	2.6554	2.6554	1.1095	1.1095	2.1661	2.1671	2.1671
C4	3.6788	2.3907	1.5229		4.4205	4.0492	4.0492	2.1771	2.1771	1.0995	1.0988	1.0988
H5	1.0976	2.0298	3.2819	4.4205		1.7953	1.7953	3.6084	3.6084	5.3574	4.5776	4.5776
H6	1.1081	2.0977	2.6554	4.0492	1.7953		1.7931	3.0176	2.4309	4.7453	4.2370	4.5985
H7	1.1081	2.0977	2.6554	4.0492	1.7953	1.7931		2.4309	3.0176	4.7453	4.5985	4.2370
H8	2.6177	2.0844	1.1095	2.1771	3.6084	3.0176	2.4309		1.7826	2.5124	3.0911	2.5258
H9	2.6177	2.0844	1.1095	2.1771	3.6084	2.4309	3.0176	1.7826		2.5124	2.5258	3.0911
H10	4.5053	3.3491	2.1661	1.0995	5.3574	4.7453	4.7453	2.5124	2.5124		1.7854	1.7854
H11	3.9817	2.6539	2.1671	1.0988	4.5776	4.2370	4.5985	3.0911	2.5258	1.7854		1.7812
H12	3.9817	2.6539	2.1671	1.0988	4.5776	4.5985	4.2370	2.5258	3.0911	1.7854	1.7812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	114.066	O2	C1	H5	106.897
O2	C1	H6	112.356	O2	C1	H7	112.356
O2	C3	C4	107.999	O2	C3	H8	110.766
O2	C3	H9	110.766	C3	C4	H10	110.176
C3	C4	H11	110.428	C3	C4	H12	110.428
C4	C3	H8	110.287	C4	C3	H9	110.287
H5	C1	H6	108.609	H5	C1	H7	108.609
H6	C1	H7	107.901	H8	C3	H9	106.753
H10	C4	H11	108.493	H10	C4	H12	108.493
H11	C4	H12	108.766

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

using model chemistry: B97D3/6-31G*

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	-0.207
2	O	-0.438
3	C	-0.021
4	C	-0.465
5	H	0.161
6	H	0.130
7	H	0.130
8	H	0.120
9	H	0.120
10	H	0.147
11	H	0.163
12	H	0.163

	x	y	z	Total
	0.872	-0.668	0.000	1.099
CHELPG
AIM
ESP

	x	y	z
x	5.951	0.782	0.000
y	0.782	6.069	0.000
z	0.000	0.000	5.148

<r²>	103.865
(<r²>)^1/2	10.191

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

using model chemistry: B97D3/6-31G*

States and conformations

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