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	hartrees
Energy at 0K	-194.065940
Energy at 298.15K	-194.074868
HF Energy	-194.065940
Nuclear repulsion energy	132.370978

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3051	24.61
2	A'	3170	3032	25.65
3	A'	3080	2946	16.52
4	A'	3017	2886	72.99
5	A'	3001	2870	37.24
6	A'	1574	1505	2.14
7	A'	1551	1483	1.45
8	A'	1545	1478	15.29
9	A'	1504	1439	0.74
10	A'	1461	1398	22.07
11	A'	1434	1372	14.44
12	A'	1233	1180	26.63
13	A'	1149	1100	67.96
14	A'	1134	1085	51.69
15	A'	1048	1003	15.12
16	A'	857	820	11.54
17	A'	465	445	1.06
18	A'	281	269	4.37
19	A"	3179	3041	27.39
20	A"	3079	2945	67.25
21	A"	3041	2909	70.45
22	A"	1529	1463	17.10
23	A"	1529	1463	0.46
24	A"	1317	1260	0.18
25	A"	1209	1157	10.56
26	A"	1169	1118	0.04
27	A"	856	818	1.45
28	A"	257	246	2.83
29	A"	205	196	1.62
30	A"	113	108	5.14

Atom	x (Å)	y (Å)	z (Å)
C1	1.315	1.285	0.000
O2	0.000	0.709	0.000
C3	0.008	-0.734	0.000
C4	-1.432	-1.197	0.000
H5	1.180	2.367	0.000
H6	1.886	0.991	0.893
H7	1.886	0.991	-0.893
H8	0.544	-1.105	-0.889
H9	0.544	-1.105	0.889
H10	-1.487	-2.291	0.000
H11	-1.951	-0.820	0.886
H12	-1.951	-0.820	-0.886

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4356	2.4053	3.7020	1.0902	1.0999	1.0999	2.6638	2.6638	4.5429	3.9850	3.9850
O2	1.4356		1.4432	2.3839	2.0351	2.1055	2.1055	2.0921	2.0921	3.3481	2.6320	2.6320
C3	2.4053	1.4432		1.5121	3.3152	2.7016	2.7016	1.1022	1.1022	2.1583	2.1512	2.1512
C4	3.7020	2.3839	1.5121		4.4186	4.0730	4.0730	2.1685	2.1685	1.0948	1.0936	1.0936
H5	1.0902	2.0351	3.3152	4.4186		1.7858	1.7858	3.6398	3.6398	5.3673	4.5545	4.5545
H6	1.0999	2.1055	2.7016	4.0730	1.7858		1.7858	3.0603	2.4883	4.7898	4.2424	4.6001
H7	1.0999	2.1055	2.7016	4.0730	1.7858	1.7858		2.4883	3.0603	4.7898	4.6001	4.2424
H8	2.6638	2.0921	1.1022	2.1685	3.6398	3.0603	2.4883		1.7772	2.5145	3.0747	2.5112
H9	2.6638	2.0921	1.1022	2.1685	3.6398	2.4883	3.0603	1.7772		2.5145	2.5112	3.0747
H10	4.5429	3.3481	2.1583	1.0948	5.3673	4.7898	4.7898	2.5145	2.5145		1.7780	1.7780
H11	3.9850	2.6320	2.1512	1.0936	4.5545	4.2424	4.6001	3.0747	2.5112	1.7780		1.7713
H12	3.9850	2.6320	2.1512	1.0936	4.5545	4.6001	4.2424	2.5112	3.0747	1.7780	1.7713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	113.338	O2	C1	H5	106.553
O2	C1	H6	111.595	O2	C1	H7	111.595
O2	C3	C4	107.518	O2	C3	H8	109.827
O2	C3	H9	109.827	C3	C4	H10	110.753
C3	C4	H11	110.258	C3	C4	H12	110.258
C4	C3	H8	111.115	C4	C3	H9	111.115
H5	C1	H6	109.251	H5	C1	H7	109.251
H6	C1	H7	108.543	H8	C3	H9	107.447
H10	C4	H11	108.672	H10	C4	H12	108.672
H11	C4	H12	108.161

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

using model chemistry: HSEh1PBE/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	-0.222
2	O	-0.530
3	C	-0.056
4	C	-0.488
5	H	0.185
6	H	0.150
7	H	0.150
8	H	0.147
9	H	0.147
10	H	0.158
11	H	0.181
12	H	0.181

	x	y	z	Total
	1.286	-0.880	0.000	1.558
CHELPG
AIM
ESP

	x	y	z
x	5.639	0.729	0.000
y	0.729	5.889	0.000
z	0.000	0.000	4.909

<r²>	104.637
(<r²>)^1/2	10.229

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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