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	hartrees
Energy at 0K	-194.240486
Energy at 298.15K	-194.249482
HF Energy	-194.240486
Nuclear repulsion energy	133.988329

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3003	28.37
2	A'	3170	3002	21.26
3	A'	3088	2924	12.42
4	A'	3034	2873	71.60
5	A'	3021	2861	31.60
6	A'	1566	1483	0.82
7	A'	1542	1460	5.97
8	A'	1531	1450	4.74
9	A'	1509	1429	0.10
10	A'	1456	1379	43.29
11	A'	1415	1340	5.02
12	A'	1274	1207	93.66
13	A'	1222	1157	90.60
14	A'	1136	1076	5.68
15	A'	1074	1017	17.17
16	A'	896	849	8.64
17	A'	480	454	0.71
18	A'	296	281	2.91
19	A"	3174	3006	21.71
20	A"	3083	2920	56.68
21	A"	3054	2892	70.64
22	A"	1521	1440	6.39
23	A"	1512	1432	4.38
24	A"	1316	1246	1.90
25	A"	1218	1153	10.87
26	A"	1184	1121	0.19
27	A"	826	782	0.15
28	A"	264	250	3.51
29	A"	210	199	0.41
30	A"	124	118	2.57

Atom	x (Å)	y (Å)	z (Å)
C1	1.318	1.224	0.000
O2	0.013	0.709	0.000
C3	0.000	-0.699	0.000
C4	-1.443	-1.161	0.000
H5	1.241	2.313	0.000
H6	1.878	0.904	0.892
H7	1.878	0.904	-0.892
H8	0.532	-1.081	-0.887
H9	0.532	-1.081	0.887
H10	-1.500	-2.252	0.000
H11	-1.959	-0.782	0.886
H12	-1.959	-0.782	-0.886

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4025	2.3309	3.6480	1.0917	1.1007	1.1007	2.5917	2.5917	4.4746	3.9426	3.9426
O2	1.4025		1.4078	2.3698	2.0200	2.0763	2.0763	2.0643	2.0643	3.3255	2.6261	2.6261
C3	2.3309	1.4078		1.5152	3.2574	2.6250	2.6250	1.1029	1.1029	2.1593	2.1515	2.1515
C4	3.6480	2.3698	1.5152		4.3898	4.0109	4.0109	2.1669	2.1669	1.0934	1.0930	1.0930
H5	1.0917	2.0200	3.2574	4.3898		1.7849	1.7849	3.5790	3.5790	5.3249	4.5391	4.5391
H6	1.1007	2.0763	2.6250	4.0109	1.7849		1.7836	2.9859	2.3982	4.7080	4.1908	4.5523
H7	1.1007	2.0763	2.6250	4.0109	1.7849	1.7836		2.3982	2.9859	4.7080	4.5523	4.1908
H8	2.5917	2.0643	1.1029	2.1669	3.5790	2.9859	2.3982		1.7740	2.5074	3.0723	2.5090
H9	2.5917	2.0643	1.1029	2.1669	3.5790	2.3982	2.9859	1.7740		2.5074	2.5090	3.0723
H10	4.4746	3.3255	2.1593	1.0934	5.3249	4.7080	4.7080	2.5074	2.5074		1.7773	1.7773
H11	3.9426	2.6261	2.1515	1.0930	4.5391	4.1908	4.5523	3.0723	2.5090	1.7773		1.7724
H12	3.9426	2.6261	2.1515	1.0930	4.5391	4.5523	4.1908	2.5090	3.0723	1.7773	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.072	O2	C1	H5	107.521
O2	C1	H6	111.516	O2	C1	H7	111.516
O2	C3	C4	108.283	O2	C3	H8	110.013
O2	C3	H9	110.013	C3	C4	H10	110.704
C3	C4	H11	110.104	C3	C4	H12	110.104
C4	C3	H8	110.731	C4	C3	H9	110.731
H5	C1	H6	109.006	H5	C1	H7	109.006
H6	C1	H7	108.225	H8	C3	H9	107.074
H10	C4	H11	108.762	H10	C4	H12	108.762
H11	C4	H12	108.349

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	-0.214
2	O	-0.487
3	C	-0.031
4	C	-0.492
5	H	0.174
6	H	0.140
7	H	0.140
8	H	0.132
9	H	0.132
10	H	0.158
11	H	0.174
12	H	0.174

	x	y	z	Total
	0.969	-0.707	0.000	1.199
CHELPG
AIM
ESP

	x	y	z
x	5.626	0.650	0.000
y	0.650	5.813	0.000
z	0.000	0.000	5.034

<r²>	102.441
(<r²>)^1/2	10.121

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-)