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	hartrees
Energy at 0K	-194.254491
Energy at 298.15K	-194.263345
HF Energy	-194.254491
Nuclear repulsion energy	132.132891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3050	3026	30.03
2	A'	3045	3021	34.54
3	A'	2980	2957	18.48
4	A'	2892	2870	92.70
5	A'	2869	2846	42.68
6	A'	1509	1498	0.34
7	A'	1484	1472	1.87
8	A'	1476	1464	9.18
9	A'	1449	1438	1.08
10	A'	1395	1384	32.41
11	A'	1369	1358	13.24
12	A'	1197	1187	25.01
13	A'	1098	1089	150.91
14	A'	1086	1078	5.04
15	A'	989	981	12.65
16	A'	834	828	13.03
17	A'	453	449	0.47
18	A'	279	277	2.55
19	A"	3054	3031	31.90
20	A"	2926	2903	76.32
21	A"	2892	2870	83.04
22	A"	1462	1451	4.17
23	A"	1456	1445	3.12
24	A"	1262	1253	0.88
25	A"	1171	1162	8.19
26	A"	1135	1126	0.09
27	A"	809	802	0.38
28	A"	261	259	1.99
29	A"	211	209	0.77
30	A"	114	113	2.70

Atom	x (Å)	y (Å)	z (Å)
C1	1.333	1.253	0.000
O2	0.010	0.719	0.000
C3	0.000	-0.715	0.000
C4	-1.456	-1.184	0.000
H5	1.239	2.349	0.000
H6	1.908	0.943	0.898
H7	1.908	0.943	-0.898
H8	0.537	-1.104	-0.893
H9	0.537	-1.104	0.893
H10	-1.505	-2.285	0.000
H11	-1.983	-0.811	0.892
H12	-1.983	-0.811	-0.892

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4266	2.3770	3.7040	1.0999	1.1101	1.1101	2.6430	2.6430	4.5355	4.0062	4.0062
O2	1.4266		1.4344	2.4028	2.0412	2.1114	2.1114	2.0972	2.0972	3.3646	2.6662	2.6662
C3	2.3770	1.4344		1.5297	3.3051	2.6825	2.6825	1.1119	1.1119	2.1747	2.1760	2.1760
C4	3.7040	2.4028	1.5297		4.4439	4.0802	4.0802	2.1850	2.1850	1.1015	1.1007	1.1007
H5	1.0999	2.0412	3.3051	4.4439		1.7969	1.7969	3.6348	3.6348	5.3854	4.6002	4.6002
H6	1.1101	2.1114	2.6825	4.0802	1.7969		1.7953	3.0457	2.4638	4.7827	4.2678	4.6278
H7	1.1101	2.1114	2.6825	4.0802	1.7969	1.7953		2.4638	3.0457	4.7827	4.6278	4.2678
H8	2.6430	2.0972	1.1119	2.1850	3.6348	3.0457	2.4638		1.7857	2.5220	3.1011	2.5361
H9	2.6430	2.0972	1.1119	2.1850	3.6348	2.4638	3.0457	1.7857		2.5220	2.5361	3.1011
H10	4.5355	3.3646	2.1747	1.1015	5.3854	4.7827	4.7827	2.5220	2.5220		1.7873	1.7873
H11	4.0062	2.6662	2.1760	1.1007	4.6002	4.2678	4.6278	3.1011	2.5361	1.7873		1.7835
H12	4.0062	2.6662	2.1760	1.1007	4.6002	4.6278	4.2678	2.5361	3.1011	1.7873	1.7835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.369	O2	C1	H5	107.078
O2	C1	H6	112.079	O2	C1	H7	112.079
O2	C3	C4	108.270	O2	C3	H8	110.255
O2	C3	H9	110.255	C3	C4	H10	110.421
C3	C4	H11	110.567	C3	C4	H12	110.567
C4	C3	H8	110.616	C4	C3	H9	110.616
H5	C1	H6	108.798	H5	C1	H7	108.798
H6	C1	H7	107.924	H8	C3	H9	106.838
H10	C4	H11	108.499	H10	C4	H12	108.499
H11	C4	H12	108.213

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

using model chemistry: BLYP/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	-0.043
2	O	-0.437
3	C	0.090
4	C	-0.296
5	H	0.100
6	H	0.077
7	H	0.077
8	H	0.065
9	H	0.065
10	H	0.089
11	H	0.106
12	H	0.106

	x	y	z	Total
	0.847	-0.648	0.000	1.067
CHELPG
AIM
ESP

	x	y	z
x	6.116	0.858	0.000
y	0.858	6.246	0.000
z	0.000	0.000	5.221

<r²>	105.144
(<r²>)^1/2	10.254

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

using model chemistry: BLYP/6-31G**

States and conformations

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