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	hartrees
Energy at 0K	-193.793000
Energy at 298.15K	-193.801985
HF Energy	-193.120967
Nuclear repulsion energy	133.512250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3032	29.55
2	A'	3200	3016	28.26
3	A'	3116	2936	18.65
4	A'	3068	2891	81.41
5	A'	3052	2876	39.16
6	A'	1582	1491	0.51
7	A'	1560	1470	5.61
8	A'	1550	1460	3.36
9	A'	1525	1437	0.05
10	A'	1481	1396	35.18
11	A'	1441	1358	8.95
12	A'	1274	1201	52.66
13	A'	1201	1132	117.40
14	A'	1146	1080	2.65
15	A'	1068	1007	19.05
16	A'	894	842	13.31
17	A'	475	447	0.67
18	A'	295	278	2.87
19	A"	3212	3027	28.78
20	A"	3130	2949	56.67
21	A"	3092	2913	60.46
22	A"	1540	1451	5.45
23	A"	1532	1444	4.69
24	A"	1327	1250	1.95
25	A"	1230	1159	11.84
26	A"	1193	1125	0.22
27	A"	842	793	0.00
28	A"	264	248	2.25
29	A"	211	199	2.45
30	A"	103	97	3.24

Atom	x (Å)	y (Å)	z (Å)
C1	1.323	1.241	0.000
O2	0.009	0.713	0.000
C3	0.000	-0.707	0.000
C4	-1.441	-1.175	0.000
H5	1.232	2.324	0.000
H6	1.876	0.924	0.891
H7	1.876	0.924	-0.891
H8	0.530	-1.080	-0.886
H9	0.530	-1.080	0.886
H10	-1.484	-2.265	0.000
H11	-1.958	-0.805	0.885
H12	-1.958	-0.805	-0.885

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4158	2.3542	3.6708	1.0874	1.0954	1.0954	2.6073	2.6073	4.4912	3.9661	3.9661
O2	1.4158		1.4203	2.3808	2.0226	2.0793	2.0793	2.0670	2.0670	3.3319	2.6373	2.6373
C3	2.3542	1.4203		1.5154	3.2719	2.6401	2.6401	1.0978	1.0978	2.1521	2.1509	2.1509
C4	3.6708	2.3808	1.5154		4.4034	4.0249	4.0249	2.1634	2.1634	1.0911	1.0895	1.0895
H5	1.0874	2.0226	3.2719	4.4034		1.7804	1.7804	3.5869	3.5869	5.3330	4.5551	4.5551
H6	1.0954	2.0793	2.6401	4.0249	1.7804		1.7818	2.9970	2.4134	4.7172	4.2053	4.5648
H7	1.0954	2.0793	2.6401	4.0249	1.7804	1.7818		2.4134	2.9970	4.7172	4.5648	4.2053
H8	2.6073	2.0670	1.0978	2.1634	3.5869	2.9970	2.4134		1.7720	2.4996	3.0663	2.5033
H9	2.6073	2.0670	1.0978	2.1634	3.5869	2.4134	2.9970	1.7720		2.4996	2.5033	3.0663
H10	4.4912	3.3319	2.1521	1.0911	5.3330	4.7172	4.7172	2.4996	2.4996		1.7722	1.7722
H11	3.9661	2.6373	2.1509	1.0895	4.5551	4.2053	4.5648	3.0663	2.5033	1.7722		1.7695
H12	3.9661	2.6373	2.1509	1.0895	4.5551	4.5648	4.2053	2.5033	3.0663	1.7722	1.7695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.213	O2	C1	H5	107.070
O2	C1	H6	111.142	O2	C1	H7	111.142
O2	C3	C4	108.340	O2	C3	H8	109.681
O2	C3	H9	109.681	C3	C4	H10	110.252
C3	C4	H11	110.254	C3	C4	H12	110.254
C4	C3	H8	110.751	C4	C3	H9	110.751
H5	C1	H6	109.304	H5	C1	H7	109.304
H6	C1	H7	108.838	H8	C3	H9	107.631
H10	C4	H11	108.717	H10	C4	H12	108.717
H11	C4	H12	108.599

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

using model chemistry: CCD/6-31+G**

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/6-31+G**

States and conformations

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