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	hartrees
Energy at 0K	-192.470720
Energy at 298.15K	-192.479647
HF Energy	-192.034681
Nuclear repulsion energy	131.014008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3123	2987	22.85
2	A'	3117	2981	28.93
3	A'	3054	2921	12.22
4	A'	2996	2865	54.13
5	A'	2989	2859	17.15
6	A'	1614	1544	0.67
7	A'	1594	1525	6.12
8	A'	1584	1515	6.53
9	A'	1525	1459	1.55
10	A'	1476	1412	9.32
11	A'	1444	1382	32.13
12	A'	1233	1180	20.91
13	A'	1133	1083	5.30
14	A'	1118	1069	76.38
15	A'	995	952	4.40
16	A'	844	807	8.55
17	A'	456	436	1.40
18	A'	277	265	4.22
19	A"	3132	2995	24.89
20	A"	3034	2902	63.33
21	A"	3016	2885	50.54
22	A"	1570	1502	5.43
23	A"	1568	1500	3.59
24	A"	1337	1279	0.00
25	A"	1220	1167	8.60
26	A"	1174	1123	0.04
27	A"	867	830	0.56
28	A"	261	250	3.23
29	A"	212	203	0.92
30	A"	114	109	4.63

Atom	x (Å)	y (Å)	z (Å)
C1	1.359	1.262	0.000
O2	0.000	0.721	0.000
C3	0.005	-0.745	0.000
C4	-1.473	-1.175	0.000
H5	1.253	2.353	0.000
H6	1.923	0.950	0.895
H7	1.923	0.950	-0.895
H8	0.526	-1.132	-0.893
H9	0.526	-1.132	0.893
H10	-1.559	-2.270	0.000
H11	-1.969	-0.771	0.891
H12	-1.969	-0.771	-0.891

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4627	2.4209	3.7364	1.0955	1.1029	1.1029	2.6874	2.6874	4.5819	4.0001	4.0001
O2	1.4627		1.4656	2.4011	2.0572	2.1334	2.1334	2.1229	2.1229	3.3731	2.6259	2.6259
C3	2.4209	1.4656		1.5394	3.3392	2.7115	2.7115	1.1038	1.1038	2.1850	2.1656	2.1656
C4	3.7364	2.4011	1.5394		4.4582	4.1051	4.1051	2.1899	2.1899	1.0982	1.0967	1.0967
H5	1.0955	2.0572	3.3392	4.4582		1.7936	1.7936	3.6697	3.6697	5.4109	4.5747	4.5747
H6	1.1029	2.1334	2.7115	4.1051	1.7936		1.7895	3.0790	2.5072	4.8268	4.2554	4.6148
H7	1.1029	2.1334	2.7115	4.1051	1.7936	1.7895		2.5072	3.0790	4.8268	4.6148	4.2554
H8	2.6874	2.1229	1.1038	2.1899	3.6697	3.0790	2.5072		1.7850	2.5381	3.0880	2.5211
H9	2.6874	2.1229	1.1038	2.1899	3.6697	2.5072	3.0790	1.7850		2.5381	2.5211	3.0880
H10	4.5819	3.3731	2.1850	1.0982	5.4109	4.8268	4.8268	2.5381	2.5381		1.7911	1.7911
H11	4.0001	2.6259	2.1656	1.0967	4.5747	4.2554	4.6148	3.0880	2.5211	1.7911		1.7815
H12	4.0001	2.6259	2.1656	1.0967	4.5747	4.6148	4.2554	2.5211	3.0880	1.7911	1.7815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.529	O2	C1	H5	106.163
O2	C1	H6	111.748	O2	C1	H7	111.748
O2	C3	C4	106.050	O2	C3	H8	110.638
O2	C3	H9	110.638	C3	C4	H10	110.759
C3	C4	H11	109.322	C3	C4	H12	109.322
C4	C3	H8	110.812	C4	C3	H9	110.812
H5	C1	H6	109.344	H5	C1	H7	109.344
H6	C1	H7	108.442	H8	C3	H9	107.918
H10	C4	H11	109.388	H10	C4	H12	109.388
H11	C4	H12	108.627

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

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

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