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	hartrees
Energy at 0K	-193.829622
Energy at 298.15K	-193.838583
HF Energy	-193.129424
Nuclear repulsion energy	132.784121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	3037	28.48
2	A'	3136	3025	26.25
3	A'	3054	2945	17.56
4	A'	3004	2897	80.75
5	A'	2992	2886	32.59
6	A'	1524	1470	1.64
7	A'	1499	1446	4.02
8	A'	1495	1442	3.13
9	A'	1473	1420	0.57
10	A'	1432	1381	31.10
11	A'	1391	1341	2.98
12	A'	1244	1200	47.84
13	A'	1177	1135	123.10
14	A'	1116	1076	3.69
15	A'	1054	1017	18.65
16	A'	875	844	10.86
17	A'	469	453	0.62
18	A'	291	281	2.59
19	A"	3143	3032	28.55
20	A"	3061	2952	51.94
21	A"	3029	2921	54.84
22	A"	1485	1432	6.95
23	A"	1479	1426	3.51
24	A"	1299	1253	2.00
25	A"	1197	1155	8.95
26	A"	1166	1124	0.02
27	A"	819	790	0.06
28	A"	261	252	1.88
29	A"	209	201	1.72
30	A"	110	106	2.33

Atom	x (Å)	y (Å)	z (Å)
C1	1.327	1.240	0.000
O2	0.006	0.721	0.000
C3	0.000	-0.702	0.000
C4	-1.447	-1.182	0.000
H5	1.250	2.337	0.000
H6	1.886	0.915	0.900
H7	1.886	0.915	-0.900
H8	0.537	-1.079	-0.895
H9	0.537	-1.079	0.895
H10	-1.480	-2.285	0.000
H11	-1.974	-0.814	0.895
H12	-1.974	-0.814	-0.895

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4192	2.3524	3.6828	1.1001	1.1083	1.1083	2.6084	2.6084	4.5065	3.9894	3.9894
O2	1.4192		1.4236	2.3948	2.0395	2.0932	2.0932	2.0798	2.0798	3.3539	2.6604	2.6604
C3	2.3524	1.4236		1.5244	3.2868	2.6423	2.6423	1.1100	1.1100	2.1672	2.1702	2.1702
C4	3.6828	2.3948	1.5244		4.4343	4.0392	4.0392	2.1792	2.1792	1.1034	1.1022	1.1022
H5	1.1001	2.0395	3.2868	4.4343		1.7996	1.7996	3.6031	3.6031	5.3688	4.5962	4.5962
H6	1.1083	2.0932	2.6423	4.0392	1.7996		1.8001	3.0028	2.4071	4.7309	4.2292	4.5944
H7	1.1083	2.0932	2.6423	4.0392	1.7996	1.8001		2.4071	3.0028	4.7309	4.5944	4.2292
H8	2.6084	2.0798	1.1100	2.1792	3.6031	3.0028	2.4071		1.7901	2.5153	3.0955	2.5254
H9	2.6084	2.0798	1.1100	2.1792	3.6031	2.4071	3.0028	1.7901		2.5153	2.5254	3.0955
H10	4.5065	3.3539	2.1672	1.1034	5.3688	4.7309	4.7309	2.5153	2.5153		1.7918	1.7918
H11	3.9894	2.6604	2.1702	1.1022	4.5962	4.2292	4.5944	3.0955	2.5254	1.7918		1.7898
H12	3.9894	2.6604	2.1702	1.1022	4.5962	4.5944	4.2292	2.5254	3.0955	1.7918	1.7898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.681	O2	C1	H5	107.423
O2	C1	H6	111.230	O2	C1	H7	111.230
O2	C3	C4	108.605	O2	C3	H8	109.725
O2	C3	H9	109.725	C3	C4	H10	110.091
C3	C4	H11	110.399	C3	C4	H12	110.399
C4	C3	H8	110.647	C4	C3	H9	110.647
H5	C1	H6	109.155	H5	C1	H7	109.155
H6	C1	H7	108.607	H8	C3	H9	107.484
H10	C4	H11	108.663	H10	C4	H12	108.663
H11	C4	H12	108.574

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

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

States and conformations

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