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	hartrees
Energy at 0K	-194.281477
Energy at 298.15K	-194.290440
HF Energy	-194.281477
Nuclear repulsion energy	133.708262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3149	3018	24.55
2	A'	3139	3009	31.48
3	A'	3064	2937	16.20
4	A'	2983	2859	85.32
5	A'	2963	2840	40.12
6	A'	1544	1479	1.22
7	A'	1516	1453	4.13
8	A'	1509	1446	7.10
9	A'	1486	1424	0.04
10	A'	1436	1376	40.28
11	A'	1398	1340	3.97
12	A'	1245	1193	62.47
13	A'	1189	1140	124.21
14	A'	1122	1076	5.93
15	A'	1050	1006	16.67
16	A'	881	844	9.31
17	A'	468	448	0.59
18	A'	288	276	2.89
19	A"	3153	3022	25.63
20	A"	3031	2905	65.36
21	A"	2995	2870	79.01
22	A"	1494	1431	8.53
23	A"	1491	1429	2.39
24	A"	1302	1248	1.42
25	A"	1204	1154	9.30
26	A"	1170	1121	0.31
27	A"	825	791	0.65
28	A"	267	256	2.16
29	A"	214	205	1.08
30	A"	117	112	2.93

Atom	x (Å)	y (Å)	z (Å)
C1	1.315	1.235	0.000
O2	0.013	0.710	0.000
C3	0.000	-0.701	0.000
C4	-1.440	-1.171	0.000
H5	1.230	2.325	0.000
H6	1.885	0.926	0.891
H7	1.885	0.926	-0.891
H8	0.533	-1.088	-0.886
H9	0.533	-1.088	0.886
H10	-1.487	-2.264	0.000
H11	-1.964	-0.801	0.886
H12	-1.964	-0.801	-0.886

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4041	2.3402	3.6578	1.0928	1.1024	1.1024	2.6066	2.6066	4.4831	3.9595	3.9595
O2	1.4041		1.4109	2.3767	2.0221	2.0847	2.0847	2.0713	2.0713	3.3311	2.6406	2.6406
C3	2.3402	1.4109		1.5150	3.2659	2.6443	2.6443	1.1044	1.1044	2.1579	2.1565	2.1565
C4	3.6578	2.3767	1.5150		4.3988	4.0306	4.0306	2.1648	2.1648	1.0943	1.0936	1.0936
H5	1.0928	2.0221	3.2659	4.3988		1.7835	1.7835	3.5943	3.5943	5.3331	4.5554	4.5554
H6	1.1024	2.0847	2.6443	4.0306	1.7835		1.7827	3.0070	2.4254	4.7266	4.2179	4.5770
H7	1.1024	2.0847	2.6443	4.0306	1.7835	1.7827		2.4254	3.0070	4.7266	4.5770	4.2179
H8	2.6066	2.0713	1.1044	2.1648	3.5943	3.0070	2.4254		1.7724	2.5002	3.0753	2.5133
H9	2.6066	2.0713	1.1044	2.1648	3.5943	2.4254	3.0070	1.7724		2.5002	2.5133	3.0753
H10	4.4831	3.3311	2.1579	1.0943	5.3331	4.7266	4.7266	2.5002	2.5002		1.7759	1.7759
H11	3.9595	2.6406	2.1565	1.0936	4.5554	4.2179	4.5770	3.0753	2.5133	1.7759		1.7718
H12	3.9595	2.6406	2.1565	1.0936	4.5554	4.5770	4.2179	2.5133	3.0753	1.7759	1.7718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.474	O2	C1	H5	107.508
O2	C1	H6	111.994	O2	C1	H7	111.994
O2	C3	C4	108.593	O2	C3	H8	110.272
O2	C3	H9	110.272	C3	C4	H10	110.554
C3	C4	H11	110.483	C3	C4	H12	110.483
C4	C3	H8	110.492	C4	C3	H9	110.492
H5	C1	H6	108.670	H5	C1	H7	108.670
H6	C1	H7	107.915	H8	C3	H9	106.720
H10	C4	H11	108.521	H10	C4	H12	108.521
H11	C4	H12	108.207

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

using model chemistry: B3PW91/6-31G**

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	-0.122
2	O	-0.474
3	C	0.030
4	C	-0.405
5	H	0.137
6	H	0.108
7	H	0.108
8	H	0.102
9	H	0.102
10	H	0.126
11	H	0.144
12	H	0.144

	x	y	z	Total
	0.923	-0.689	0.000	1.152
CHELPG
AIM
ESP

	x	y	z
x	5.856	0.727	0.000
y	0.727	5.977	0.000
z	0.000	0.000	5.132

<r²>	102.844
(<r²>)^1/2	10.141

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

using model chemistry: B3PW91/6-31G**

States and conformations

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