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	hartrees
Energy at 0K	-37.339469
Energy at 298.15K	-37.348450
HF Energy	-36.797609
Nuclear repulsion energy	77.813213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3037	42.52
2	A'	3196	3034	31.31
3	A'	3099	2942	22.27
4	A'	3045	2891	102.66
5	A'	3037	2883	44.32
6	A'	1553	1475	0.86
7	A'	1531	1454	4.59
8	A'	1526	1449	4.22
9	A'	1501	1426	0.07
10	A'	1461	1387	38.59
11	A'	1413	1342	6.63
12	A'	1249	1185	38.36
13	A'	1169	1110	121.40
14	A'	1132	1075	7.25
15	A'	1051	998	22.05
16	A'	880	836	11.22
17	A'	468	445	0.70
18	A'	290	276	3.88
19	A"	3208	3046	36.28
20	A"	3122	2964	63.61
21	A"	3092	2935	80.82
22	A"	1514	1437	8.44
23	A"	1510	1434	3.02
24	A"	1312	1246	0.41
25	A"	1210	1149	9.29
26	A"	1178	1118	0.30
27	A"	832	790	0.73
28	A"	272	258	2.84
29	A"	222	211	1.72
30	A"	120	114	3.38

Atom	x (Å)	y (Å)	z (Å)
C1	1.346	1.225	0.000
O2	0.005	0.729	0.000
C3	0.000	-0.707	0.000
C4	-1.463	-1.170	0.000
H5	1.276	2.323	0.000
H6	1.897	0.889	0.902
H7	1.897	0.889	-0.902
H8	0.534	-1.084	-0.899
H9	0.534	-1.084	0.899
H10	-1.513	-2.274	0.000
H11	-1.981	-0.788	0.896
H12	-1.981	-0.788	-0.896

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4300	2.3541	3.6909	1.1008	1.1094	1.1094	2.6069	2.6069	4.5179	3.9901	3.9901
O2	1.4300		1.4353	2.3995	2.0393	2.1027	2.1027	2.0913	2.0913	3.3640	2.6543	2.6543
C3	2.3541	1.4353		1.5345	3.2877	2.6380	2.6380	1.1115	1.1115	2.1781	2.1755	2.1755
C4	3.6909	2.3995	1.5345		4.4386	4.0426	4.0426	2.1920	2.1920	1.1051	1.1031	1.1031
H5	1.1008	2.0393	3.2877	4.4386		1.8051	1.8051	3.6009	3.6009	5.3767	4.5922	4.5922
H6	1.1094	2.1027	2.6380	4.0426	1.8051		1.8040	2.9985	2.3977	4.7376	4.2250	4.5918
H7	1.1094	2.1027	2.6380	4.0426	1.8051	1.8040		2.3977	2.9985	4.7376	4.5918	4.2250
H8	2.6069	2.0913	1.1115	2.1920	3.6009	2.9985	2.3977		1.7972	2.5327	3.1040	2.5323
H9	2.6069	2.0913	1.1115	2.1920	3.6009	2.3977	2.9985	1.7972		2.5327	2.5323	3.1040
H10	4.5179	3.3640	2.1781	1.1051	5.3767	4.7376	4.7376	2.5327	2.5327		1.7968	1.7968
H11	3.9901	2.6543	2.1755	1.1031	4.5922	4.2250	4.5918	3.1040	2.5323	1.7968		1.7929
H12	3.9901	2.6543	2.1755	1.1031	4.5922	4.5918	4.2250	2.5323	3.1040	1.7968	1.7929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	110.492	O2	C1	H5	106.649
O2	C1	H6	111.171	O2	C1	H7	111.171
O2	C3	C4	107.746	O2	C3	H8	109.744
O2	C3	H9	109.744	C3	C4	H10	110.149
C3	C4	H11	110.058	C3	C4	H12	110.058
C4	C3	H8	110.856	C4	C3	H9	110.856
H5	C1	H6	109.512	H5	C1	H7	109.512
H6	C1	H7	108.791	H8	C3	H9	107.894
H10	C4	H11	108.915	H10	C4	H12	108.915
H11	C4	H12	108.711

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

using model chemistry: MP2/CEP-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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All results from a given calculation for CH3OC2H5 (Ethane, methoxy-)

using model chemistry: MP2/CEP-31G*

States and conformations

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