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	hartrees
Energy at 0K	-194.334187
Energy at 298.15K	-194.343148
HF Energy	-194.334187
Nuclear repulsion energy	133.961688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3005	30.45
2	A'	3141	3004	30.77
3	A'	3061	2928	18.82
4	A'	2981	2851	97.81
5	A'	2969	2840	32.53
6	A'	1542	1475	2.83
7	A'	1511	1445	1.23
8	A'	1508	1442	10.40
9	A'	1488	1423	0.62
10	A'	1439	1377	38.36
11	A'	1399	1338	0.64
12	A'	1254	1199	64.15
13	A'	1195	1143	132.57
14	A'	1127	1078	5.68
15	A'	1054	1008	18.62
16	A'	884	846	10.90
17	A'	476	455	0.60
18	A'	294	281	2.76
19	A"	3145	3009	30.77
20	A"	3027	2895	65.24
21	A"	3001	2870	83.53
22	A"	1486	1421	10.31
23	A"	1481	1417	4.84
24	A"	1309	1252	2.47
25	A"	1208	1155	10.95
26	A"	1174	1123	0.06
27	A"	834	798	0.29
28	A"	259	248	2.29
29	A"	198	190	1.51
30	A"	111	106	2.56

Atom	x (Å)	y (Å)	z (Å)
C1	1.265	1.283	0.000
O2	0.000	0.699	0.000
C3	0.025	-0.713	0.000
C4	-1.400	-1.203	0.000
H5	1.120	2.364	0.000
H6	1.846	1.005	0.892
H7	1.846	1.005	-0.892
H8	0.558	-1.092	-0.886
H9	0.558	-1.092	0.886
H10	-1.425	-2.297	0.000
H11	-1.922	-0.843	0.887
H12	-1.922	-0.843	-0.887

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3934	2.3502	3.6444	1.0906	1.1006	1.1006	2.6316	2.6316	4.4784	3.9328	3.9328
O2	1.3934		1.4126	2.3615	2.0063	2.0734	2.0734	2.0745	2.0745	3.3179	2.6192	2.6192
C3	2.3502	1.4126		1.5065	3.2661	2.6582	2.6582	1.1009	1.1009	2.1474	2.1438	2.1438
C4	3.6444	2.3615	1.5065		4.3668	4.0259	4.0259	2.1516	2.1516	1.0946	1.0908	1.0908
H5	1.0906	2.0063	3.2661	4.3668		1.7808	1.7808	3.6115	3.6115	5.3105	4.5082	4.5082
H6	1.1006	2.0734	2.6582	4.0259	1.7808		1.7844	3.0361	2.4611	4.7332	4.1974	4.5590
H7	1.1006	2.0734	2.6582	4.0259	1.7808	1.7844		2.4611	3.0361	4.7332	4.5590	4.1974
H8	2.6316	2.0745	1.1009	2.1516	3.6115	3.0361	2.4611		1.7714	2.4839	3.0589	2.4927
H9	2.6316	2.0745	1.1009	2.1516	3.6115	2.4611	3.0361	1.7714		2.4839	2.4927	3.0589
H10	4.4784	3.3179	2.1474	1.0946	5.3105	4.7332	4.7332	2.4839	2.4839		1.7746	1.7746
H11	3.9328	2.6192	2.1438	1.0908	4.5082	4.1974	4.5590	3.0589	2.4927	1.7746		1.7745
H12	3.9328	2.6192	2.1438	1.0908	4.5082	4.5590	4.1974	2.4927	3.0589	1.7746	1.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	113.768	O2	C1	H5	107.113
O2	C1	H6	111.939	O2	C1	H7	111.939
O2	C3	C4	107.951	O2	C3	H8	110.636
O2	C3	H9	110.636	C3	C4	H10	110.292
C3	C4	H11	110.231	C3	C4	H12	110.231
C4	C3	H8	110.248	C4	C3	H9	110.248
H5	C1	H6	108.722	H5	C1	H7	108.722
H6	C1	H7	108.314	H8	C3	H9	107.136
H10	C4	H11	108.591	H10	C4	H12	108.591
H11	C4	H12	108.858

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

using model chemistry: wB97X-D/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	-0.128
2	O	-0.354
3	C	-0.036
4	C	-0.335
5	H	0.123
6	H	0.092
7	H	0.092
8	H	0.093
9	H	0.093
10	H	0.112
11	H	0.125
12	H	0.125

	x	y	z	Total
	0.996	-0.689	0.000	1.211
CHELPG
AIM
ESP

	x	y	z
x	6.241	0.721	0.000
y	0.721	6.223	0.000
z	0.000	0.000	5.430

<r²>	102.718
(<r²>)^1/2	10.135

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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