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	hartrees
Energy at 0K	-193.835620
Energy at 298.15K	-193.844567
HF Energy	-193.129113
Nuclear repulsion energy	132.662119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3140	3042	29.23
2	A'	3125	3027	27.77
3	A'	3045	2950	18.46
4	A'	2995	2901	86.46
5	A'	2982	2889	33.20
6	A'	1520	1472	1.24
7	A'	1495	1448	3.16
8	A'	1492	1446	3.80
9	A'	1466	1420	0.55
10	A'	1426	1382	30.04
11	A'	1386	1343	4.00
12	A'	1236	1197	40.52
13	A'	1163	1126	126.84
14	A'	1112	1077	5.77
15	A'	1046	1014	19.28
16	A'	868	841	11.87
17	A'	467	453	0.58
18	A'	290	281	2.53
19	A"	3132	3034	30.21
20	A"	3049	2954	54.15
21	A"	3018	2923	57.91
22	A"	1480	1434	7.06
23	A"	1476	1430	2.99
24	A"	1293	1253	1.87
25	A"	1193	1155	8.80
26	A"	1161	1124	0.06
27	A"	817	792	0.05
28	A"	260	252	1.84
29	A"	208	201	1.61
30	A"	111	107	2.32

Atom	x (Å)	y (Å)	z (Å)
C1	1.330	1.240	0.000
O2	0.004	0.723	0.000
C3	0.000	-0.704	0.000
C4	-1.447	-1.182	0.000
H5	1.252	2.338	0.000
H6	1.887	0.912	0.901
H7	1.887	0.912	-0.901
H8	0.538	-1.079	-0.896
H9	0.538	-1.079	0.896
H10	-1.481	-2.285	0.000
H11	-1.974	-0.813	0.895
H12	-1.974	-0.813	-0.895

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4225	2.3551	3.6847	1.1004	1.1087	1.1087	2.6087	2.6087	4.5089	3.9912	3.9912
O2	1.4225		1.4270	2.3951	2.0405	2.0955	2.0955	2.0820	2.0820	3.3553	2.6598	2.6598
C3	2.3551	1.4270		1.5242	3.2892	2.6428	2.6428	1.1104	1.1104	2.1669	2.1705	2.1705
C4	3.6847	2.3951	1.5242		4.4356	4.0392	4.0392	2.1809	2.1809	1.1039	1.1027	1.1027
H5	1.1004	2.0405	3.2892	4.4356		1.8015	1.8015	3.6034	3.6034	5.3707	4.5972	4.5972
H6	1.1087	2.0955	2.6428	4.0392	1.8015		1.8017	3.0021	2.4049	4.7311	4.2288	4.5946
H7	1.1087	2.0955	2.6428	4.0392	1.8015	1.8017		2.4049	3.0021	4.7311	4.5946	4.2288
H8	2.6087	2.0820	1.1104	2.1809	3.6034	3.0021	2.4049		1.7920	2.5176	3.0973	2.5266
H9	2.6087	2.0820	1.1104	2.1809	3.6034	2.4049	3.0021	1.7920		2.5176	2.5266	3.0973
H10	4.5089	3.3553	2.1669	1.1039	5.3707	4.7311	4.7311	2.5176	2.5176		1.7927	1.7927
H11	3.9912	2.6598	2.1705	1.1027	4.5972	4.2288	4.5946	3.0973	2.5266	1.7927		1.7910
H12	3.9912	2.6598	2.1705	1.1027	4.5972	4.5946	4.2288	2.5266	3.0973	1.7927	1.7910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.482	O2	C1	H5	107.267
O2	C1	H6	111.156	O2	C1	H7	111.156
O2	C3	C4	108.450	O2	C3	H8	109.638
O2	C3	H9	109.638	C3	C4	H10	110.047
C3	C4	H11	110.403	C3	C4	H12	110.403
C4	C3	H8	110.761	C4	C3	H9	110.761
H5	C1	H6	109.271	H5	C1	H7	109.271
H6	C1	H7	108.684	H8	C3	H9	107.584
H10	C4	H11	108.669	H10	C4	H12	108.669
H11	C4	H12	108.600

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

using model chemistry: QCISD/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: QCISD/aug-cc-pVDZ

States and conformations

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