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	hartrees
Energy at 0K	-194.183711
Energy at 298.15K	-194.192662
HF Energy	-194.183711
Nuclear repulsion energy	132.459578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3188	19.99
2	A'	3171	3171	21.96
3	A'	3085	3085	13.10
4	A'	3038	3038	55.58
5	A'	3025	3025	34.24
6	A'	1577	1577	1.92
7	A'	1555	1555	4.91
8	A'	1548	1548	10.74
9	A'	1512	1512	0.89
10	A'	1463	1463	23.60
11	A'	1440	1440	11.59
12	A'	1246	1246	39.62
13	A'	1172	1172	92.07
14	A'	1140	1140	9.95
15	A'	1056	1056	13.24
16	A'	869	869	10.54
17	A'	469	469	1.23
18	A'	287	287	4.48
19	A"	3178	3178	22.55
20	A"	3098	3098	56.57
21	A"	3064	3064	63.24
22	A"	1538	1538	10.31
23	A"	1529	1529	6.81
24	A"	1319	1319	0.50
25	A"	1214	1214	12.19
26	A"	1175	1175	0.00
27	A"	851	851	0.97
28	A"	250	250	4.22
29	A"	203	203	0.83
30	A"	122	122	4.90

Atom	x (Å)	y (Å)	z (Å)
C1	1.313	1.286	0.000
O2	0.000	0.707	0.000
C3	0.011	-0.735	0.000
C4	-1.432	-1.197	0.000
H5	1.179	2.367	0.000
H6	1.880	0.989	0.892
H7	1.880	0.989	-0.892
H8	0.546	-1.102	-0.888
H9	0.546	-1.102	0.888
H10	-1.491	-2.289	0.000
H11	-1.946	-0.815	0.885
H12	-1.946	-0.815	-0.885

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4356	2.4045	3.7020	1.0888	1.0979	1.0979	2.6611	2.6611	4.5436	3.9774	3.9774
O2	1.4356		1.4415	2.3823	2.0362	2.1000	2.1000	2.0878	2.0878	3.3458	2.6238	2.6238
C3	2.4045	1.4415		1.5150	3.3144	2.6949	2.6949	1.1004	1.1004	2.1609	2.1486	2.1486
C4	3.7020	2.3823	1.5150		4.4181	4.0676	4.0676	2.1708	2.1708	1.0931	1.0921	1.0921
H5	1.0888	2.0362	3.3144	4.4181		1.7847	1.7847	3.6363	3.6363	5.3667	4.5466	4.5466
H6	1.0979	2.1000	2.6949	4.0676	1.7847		1.7844	3.0532	2.4803	4.7857	4.2296	4.5879
H7	1.0979	2.1000	2.6949	4.0676	1.7847	1.7844		2.4803	3.0532	4.7857	4.5879	4.2296
H8	2.6611	2.0878	1.1004	2.1708	3.6363	3.0532	2.4803		1.7767	2.5194	3.0719	2.5082
H9	2.6611	2.0878	1.1004	2.1708	3.6363	2.4803	3.0532	1.7767		2.5194	2.5082	3.0719
H10	4.5436	3.3458	2.1609	1.0931	5.3667	4.7857	4.7857	2.5194	2.5194		1.7778	1.7778
H11	3.9774	2.6238	2.1486	1.0921	4.5466	4.2296	4.5879	3.0719	2.5082	1.7778		1.7703
H12	3.9774	2.6238	2.1486	1.0921	4.5466	4.5879	4.2296	2.5082	3.0719	1.7778	1.7703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	113.388	O2	C1	H5	106.732
O2	C1	H6	111.278	O2	C1	H7	111.278
O2	C3	C4	107.341	O2	C3	H8	109.715
O2	C3	H9	109.715	C3	C4	H10	110.853
C3	C4	H11	109.934	C3	C4	H12	109.934
C4	C3	H8	111.203	C4	C3	H9	111.203
H5	C1	H6	109.402	H5	C1	H7	109.402
H6	C1	H7	108.710	H8	C3	H9	107.664
H10	C4	H11	108.889	H10	C4	H12	108.889
H11	C4	H12	108.287

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

using model chemistry: M06-2X/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	-0.176
2	O	-0.556
3	C	-0.029
4	C	-0.443
5	H	0.176
6	H	0.138
7	H	0.138
8	H	0.135
9	H	0.135
10	H	0.145
11	H	0.168
12	H	0.168

	x	y	z	Total
	1.346	-0.895	0.000	1.616
CHELPG
AIM
ESP

	x	y	z
x	5.519	0.684	0.000
y	0.684	5.820	0.000
z	0.000	0.000	4.884

<r²>	104.584
(<r²>)^1/2	10.227

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

using model chemistry: M06-2X/6-31G

States and conformations

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