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	hartrees
Energy at 0K	-193.867629
Energy at 298.15K	-193.876547
HF Energy	-193.128675
Nuclear repulsion energy	132.527878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3127	3037
2	A'	3114	3024
3	A'	3032	2945
4	A'	2976	2890
5	A'	2962	2877
6	A'	1508	1465
7	A'	1485	1442
8	A'	1482	1439
9	A'	1454	1412
10	A'	1412	1371
11	A'	1374	1334
12	A'	1223	1188
13	A'	1146	1113
14	A'	1101	1070
15	A'	1035	1005
16	A'	857	833
17	A'	464	450
18	A'	288	280
19	A"	3122	3032
20	A"	3032	2945
21	A"	2999	2912
22	A"	1471	1428
23	A"	1467	1425
24	A"	1282	1245
25	A"	1182	1148
26	A"	1151	1117
27	A"	811	787
28	A"	258	251
29	A"	208	202
30	A"	108	105

Atom	x (Å)	y (Å)	z (Å)
C1	1.332	1.238	0.000
O2	0.002	0.726	0.000
C3	0.000	-0.704	0.000
C4	-1.448	-1.182	0.000
H5	1.260	2.336	0.000
H6	1.888	0.907	0.902
H7	1.888	0.907	-0.902
H8	0.539	-1.079	-0.897
H9	0.539	-1.079	0.897
H10	-1.484	-2.286	0.000
H11	-1.974	-0.812	0.896
H12	-1.974	-0.812	-0.896

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4255	2.3548	3.6863	1.1011	1.1098	1.1098	2.6076	2.6076	4.5110	3.9921	3.9921
O2	1.4255		1.4301	2.3969	2.0431	2.0988	2.0988	2.0858	2.0858	3.3589	2.6596	2.6596
C3	2.3548	1.4301		1.5253	3.2908	2.6409	2.6409	1.1116	1.1116	2.1693	2.1708	2.1708
C4	3.6863	2.3969	1.5253		4.4399	4.0389	4.0389	2.1828	2.1828	1.1046	1.1032	1.1032
H5	1.1011	2.0431	3.2908	4.4399		1.8032	1.8032	3.6036	3.6036	5.3754	4.6011	4.6011
H6	1.1098	2.0988	2.6409	4.0389	1.8032		1.8036	3.0002	2.4009	4.7311	4.2277	4.5942
H7	1.1098	2.0988	2.6409	4.0389	1.8032	1.8036		2.4009	3.0002	4.7311	4.5942	4.2277
H8	2.6076	2.0858	1.1116	2.1828	3.6036	3.0002	2.4009		1.7946	2.5209	3.0989	2.5270
H9	2.6076	2.0858	1.1116	2.1828	3.6036	2.4009	3.0002	1.7946		2.5209	2.5270	3.0989
H10	4.5110	3.3589	2.1693	1.1046	5.3754	4.7311	4.7311	2.5209	2.5209		1.7938	1.7938
H11	3.9921	2.6596	2.1708	1.1032	4.6011	4.2277	4.5942	3.0989	2.5270	1.7938		1.7928
H12	3.9921	2.6596	2.1708	1.1032	4.6011	4.5942	4.2277	2.5270	3.0989	1.7938	1.7928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.098	O2	C1	H5	107.228
O2	C1	H6	111.147	O2	C1	H7	111.147
O2	C3	C4	108.346	O2	C3	H8	109.659
O2	C3	H9	109.659	C3	C4	H10	110.121
C3	C4	H11	110.319	C3	C4	H12	110.319
C4	C3	H8	110.764	C4	C3	H9	110.764
H5	C1	H6	109.290	H5	C1	H7	109.290
H6	C1	H7	108.702	H8	C3	H9	107.642
H10	C4	H11	108.677	H10	C4	H12	108.677
H11	C4	H12	108.681

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

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: CCSD(T)=FULL/aug-cc-pVDZ

States and conformations

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