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	hartrees
Energy at 0K	-194.178133
Energy at 298.15K	-194.187116
HF Energy	-194.178133
Nuclear repulsion energy	134.068492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3139	3015	27.14
2	A'	3137	3013	29.38
3	A'	3058	2937	17.30
4	A'	2981	2863	90.21
5	A'	2964	2847	38.81
6	A'	1532	1471	2.91
7	A'	1504	1445	4.08
8	A'	1498	1439	7.46
9	A'	1476	1418	0.85
10	A'	1431	1374	37.07
11	A'	1392	1337	0.54
12	A'	1245	1196	60.04
13	A'	1190	1143	132.92
14	A'	1123	1078	4.95
15	A'	1055	1013	19.64
16	A'	883	848	10.60
17	A'	470	451	0.59
18	A'	288	277	2.73
19	A"	3141	3016	28.66
20	A"	3027	2907	66.24
21	A"	2993	2874	77.99
22	A"	1480	1421	11.02
23	A"	1477	1418	4.48
24	A"	1303	1251	2.19
25	A"	1200	1153	10.31
26	A"	1168	1121	0.18
27	A"	826	793	0.42
28	A"	267	256	2.16
29	A"	213	204	1.17
30	A"	117	112	2.78

Atom	x (Å)	y (Å)	z (Å)
C1	1.311	1.231	0.000
O2	0.012	0.708	0.000
C3	0.000	-0.699	0.000
C4	-1.435	-1.168	0.000
H5	1.229	2.319	0.000
H6	1.876	0.919	0.892
H7	1.876	0.919	-0.892
H8	0.533	-1.081	-0.886
H9	0.533	-1.081	0.886
H10	-1.484	-2.260	0.000
H11	-1.957	-0.796	0.885
H12	-1.957	-0.796	-0.885

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4007	2.3330	3.6465	1.0909	1.1009	1.1009	2.5957	2.5957	4.4722	3.9459	3.9459
O2	1.4007		1.4070	2.3692	2.0187	2.0774	2.0774	2.0639	2.0639	3.3237	2.6306	2.6306
C3	2.3330	1.4070		1.5098	3.2580	2.6325	2.6325	1.1028	1.1028	2.1541	2.1496	2.1496
C4	3.6465	2.3692	1.5098		4.3878	4.0140	4.0140	2.1601	2.1601	1.0930	1.0924	1.0924
H5	1.0909	2.0187	3.2580	4.3878		1.7819	1.7819	3.5818	3.5818	5.3220	4.5421	4.5421
H6	1.1009	2.0774	2.6325	4.0140	1.7819		1.7832	2.9941	2.4089	4.7105	4.1987	4.5591
H7	1.1009	2.0774	2.6325	4.0140	1.7819	1.7832		2.4089	2.9941	4.7105	4.5591	4.1987
H8	2.5957	2.0639	1.1028	2.1601	3.5818	2.9941	2.4089		1.7730	2.4988	3.0686	2.5057
H9	2.5957	2.0639	1.1028	2.1601	3.5818	2.4089	2.9941	1.7730		2.4988	2.5057	3.0686
H10	4.4722	3.3237	2.1541	1.0930	5.3220	4.7105	4.7105	2.4988	2.4988		1.7745	1.7745
H11	3.9459	2.6306	2.1496	1.0924	4.5421	4.1987	4.5591	3.0686	2.5057	1.7745		1.7700
H12	3.9459	2.6306	2.1496	1.0924	4.5421	4.5591	4.1987	2.5057	3.0686	1.7745	1.7700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.388	O2	C1	H5	107.576
O2	C1	H6	111.726	O2	C1	H7	111.726
O2	C3	C4	108.580	O2	C3	H8	110.049
O2	C3	H9	110.049	C3	C4	H10	110.684
C3	C4	H11	110.361	C3	C4	H12	110.361
C4	C3	H8	110.578	C4	C3	H9	110.578
H5	C1	H6	108.780	H5	C1	H7	108.780
H6	C1	H7	108.179	H8	C3	H9	107.005
H10	C4	H11	108.577	H10	C4	H12	108.577
H11	C4	H12	108.211

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

using model chemistry: HSEh1PBE/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	-0.147
2	O	-0.349
3	C	-0.053
4	C	-0.354
5	H	0.126
6	H	0.099
7	H	0.099
8	H	0.100
9	H	0.100
10	H	0.117
11	H	0.131
12	H	0.131

	x	y	z	Total
	0.969	-0.676	0.000	1.182
CHELPG
AIM
ESP

	x	y	z
x	6.314	0.764	0.000
y	0.764	6.289	0.000
z	0.000	0.000	5.436

<r²>	102.570
(<r²>)^1/2	10.128

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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