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	hartrees
Energy at 0K	-193.634805
Energy at 298.15K	-193.643899
HF Energy	-193.104382
Nuclear repulsion energy	134.126243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3250	3009	34.33
2	A'	3239	2998	28.53
3	A'	3160	2926	15.36
4	A'	3110	2879	72.40
5	A'	3091	2862	32.18
6	A'	1629	1508	0.82
7	A'	1600	1481	6.01
8	A'	1591	1473	3.49
9	A'	1569	1453	0.00
10	A'	1523	1410	41.86
11	A'	1481	1371	8.85
12	A'	1316	1218	68.27
13	A'	1245	1153	117.91
14	A'	1179	1092	4.88
15	A'	1099	1017	17.36
16	A'	924	855	11.40
17	A'	489	452	0.80
18	A'	302	280	3.19
19	A"	3249	3008	29.06
20	A"	3162	2928	67.07
21	A"	3126	2894	64.92
22	A"	1583	1465	5.23
23	A"	1575	1458	4.02
24	A"	1368	1267	1.38
25	A"	1269	1175	11.49
26	A"	1231	1140	0.01
27	A"	865	800	0.11
28	A"	280	259	2.65
29	A"	222	206	2.09
30	A"	117	108	3.19

Atom	x (Å)	y (Å)	z (Å)
C1	1.317	1.230	0.000
O2	0.016	0.704	0.000
C3	0.000	-0.704	0.000
C4	-1.442	-1.159	0.000
H5	1.228	2.313	0.000
H6	1.876	0.918	0.888
H7	1.876	0.918	-0.888
H8	0.526	-1.086	-0.883
H9	0.526	-1.086	0.883
H10	-1.501	-2.247	0.000
H11	-1.956	-0.782	0.883
H12	-1.956	-0.782	-0.883

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4037	2.3398	3.6498	1.0868	1.0947	1.0947	2.6018	2.6018	4.4760	3.9419	3.9419
O2	1.4037		1.4083	2.3659	2.0140	2.0726	2.0726	2.0607	2.0607	3.3187	2.6219	2.6219
C3	2.3398	1.4083		1.5122	3.2570	2.6342	2.6342	1.0967	1.0967	2.1531	2.1470	2.1470
C4	3.6498	2.3659	1.5122		4.3798	4.0141	4.0141	2.1587	2.1587	1.0900	1.0886	1.0886
H5	1.0868	2.0140	3.2570	4.3798		1.7764	1.7764	3.5813	3.5813	5.3144	4.5266	4.5266
H6	1.0947	2.0726	2.6342	4.0141	1.7764		1.7764	2.9958	2.4163	4.7131	4.1918	4.5505
H7	1.0947	2.0726	2.6342	4.0141	1.7764	1.7764		2.4163	2.9958	4.7131	4.5505	4.1918
H8	2.6018	2.0607	1.0967	2.1587	3.5813	2.9958	2.4163		1.7655	2.4976	3.0611	2.5007
H9	2.6018	2.0607	1.0967	2.1587	3.5813	2.4163	2.9958	1.7655		2.4976	2.5007	3.0611
H10	4.4760	3.3187	2.1531	1.0900	5.3144	4.7131	4.7131	2.4976	2.4976		1.7703	1.7703
H11	3.9419	2.6219	2.1470	1.0886	4.5266	4.1918	4.5505	3.0611	2.5007	1.7703		1.7655
H12	3.9419	2.6219	2.1470	1.0886	4.5266	4.5505	4.1918	2.5007	3.0611	1.7703	1.7655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.625	O2	C1	H5	107.248
O2	C1	H6	111.508	O2	C1	H7	111.508
O2	C3	C4	108.158	O2	C3	H8	110.080
O2	C3	H9	110.080	C3	C4	H10	110.613
C3	C4	H11	110.213	C3	C4	H12	110.213
C4	C3	H8	110.662	C4	C3	H9	110.662
H5	C1	H6	109.032	H5	C1	H7	109.032
H6	C1	H7	108.458	H8	C3	H9	107.206
H10	C4	H11	108.693	H10	C4	H12	108.693
H11	C4	H12	108.357

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

using model chemistry: CISD/6-31G*

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: CISD/6-31G*

States and conformations

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