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	hartrees
Energy at 0K	-194.309709
Energy at 298.15K	-194.318667
HF Energy	-194.309709
Nuclear repulsion energy	133.811641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3011	27.28
2	A'	3160	3008	23.77
3	A'	3076	2928	18.31
4	A'	3007	2862	95.13
5	A'	2989	2845	43.71
6	A'	1537	1463	2.43
7	A'	1513	1440	3.29
8	A'	1507	1435	8.93
9	A'	1484	1413	0.65
10	A'	1438	1368	36.96
11	A'	1399	1332	1.86
12	A'	1248	1188	67.66
13	A'	1194	1136	125.98
14	A'	1124	1070	5.04
15	A'	1056	1005	20.56
16	A'	882	839	10.76
17	A'	469	446	0.60
18	A'	289	275	3.02
19	A"	3166	3013	25.24
20	A"	3060	2912	57.46
21	A"	3023	2878	72.43
22	A"	1495	1423	10.25
23	A"	1490	1419	6.07
24	A"	1306	1243	2.19
25	A"	1201	1143	10.43
26	A"	1171	1115	0.22
27	A"	826	786	0.44
28	A"	261	249	2.34
29	A"	210	200	1.63
30	A"	117	111	3.34

Atom	x (Å)	y (Å)	z (Å)
C1	1.312	1.241	0.000
O2	0.013	0.709	0.000
C3	0.000	-0.701	0.000
C4	-1.436	-1.175	0.000
H5	1.220	2.328	0.000
H6	1.876	0.931	0.892
H7	1.876	0.931	-0.892
H8	0.533	-1.081	-0.887
H9	0.533	-1.081	0.887
H10	-1.477	-2.268	0.000
H11	-1.961	-0.809	0.885
H12	-1.961	-0.809	-0.885

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4039	2.3439	3.6594	1.0909	1.1000	1.1000	2.6046	2.6046	4.4820	3.9622	3.9622
O2	1.4039		1.4104	2.3770	2.0192	2.0778	2.0778	2.0640	2.0640	3.3287	2.6428	2.6428
C3	2.3439	1.4104		1.5124	3.2655	2.6423	2.6423	1.1021	1.1021	2.1528	2.1543	2.1543
C4	3.6594	2.3770	1.5124		4.3961	4.0256	4.0256	2.1617	2.1617	1.0933	1.0925	1.0925
H5	1.0909	2.0192	3.2655	4.3961		1.7824	1.7824	3.5884	3.5884	5.3283	4.5542	4.5542
H6	1.1000	2.0778	2.6423	4.0256	1.7824		1.7846	3.0031	2.4192	4.7194	4.2133	4.5730
H7	1.1000	2.0778	2.6423	4.0256	1.7824	1.7846		2.4192	3.0031	4.7194	4.5730	4.2133
H8	2.6046	2.0640	1.1021	2.1617	3.5884	3.0031	2.4192		1.7739	2.4969	3.0716	2.5086
H9	2.6046	2.0640	1.1021	2.1617	3.5884	2.4192	3.0031	1.7739		2.4969	2.5086	3.0716
H10	4.4820	3.3287	2.1528	1.0933	5.3283	4.7194	4.7194	2.4969	2.4969		1.7739	1.7739
H11	3.9622	2.6428	2.1543	1.0925	4.5542	4.2133	4.5730	3.0716	2.5086	1.7739		1.7708
H12	3.9622	2.6428	2.1543	1.0925	4.5542	4.5730	4.2133	2.5086	3.0716	1.7739	1.7708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.787	O2	C1	H5	107.405
O2	C1	H6	111.585	O2	C1	H7	111.585
O2	C3	C4	108.785	O2	C3	H8	109.865
O2	C3	H9	109.865	C3	C4	H10	110.385
C3	C4	H11	110.555	C3	C4	H12	110.555
C4	C3	H8	110.568	C4	C3	H9	110.568
H5	C1	H6	108.892	H5	C1	H7	108.892
H6	C1	H7	108.418	H8	C3	H9	107.181
H10	C4	H11	108.497	H10	C4	H12	108.497
H11	C4	H12	108.280

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

using model chemistry: mPW1PW91/6-31+G**

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	-0.242
2	O	-0.311
3	C	-0.095
4	C	-0.603
5	H	0.164
6	H	0.140
7	H	0.140
8	H	0.139
9	H	0.139
10	H	0.165
11	H	0.182
12	H	0.182

	x	y	z	Total
	1.051	-0.808	0.000	1.326
CHELPG
AIM
ESP

	x	y	z
x	6.484	0.671	0.000
y	0.671	6.440	0.000
z	0.000	0.000	5.596

<r²>	103.097
(<r²>)^1/2	10.154

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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