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	hartrees
Energy at 0K	-194.150251
Energy at 298.15K	-194.159214
HF Energy	-193.938371
Nuclear repulsion energy	133.389285

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3023	28.16
2	A'	3164	3009	27.04
3	A'	3085	2933	19.40
4	A'	3024	2876	93.09
5	A'	3007	2860	44.13
6	A'	1554	1478	1.04
7	A'	1532	1457	3.61
8	A'	1527	1452	7.46
9	A'	1498	1425	0.02
10	A'	1451	1380	33.82
11	A'	1417	1348	6.04
12	A'	1248	1187	40.08
13	A'	1167	1110	143.07
14	A'	1130	1074	5.14
15	A'	1043	991	19.17
16	A'	874	831	14.92
17	A'	468	445	0.57
18	A'	291	276	2.99
19	A"	3174	3019	27.92
20	A"	3079	2928	59.12
21	A"	3043	2894	70.13
22	A"	1514	1440	7.82
23	A"	1510	1436	5.40
24	A"	1312	1247	1.87
25	A"	1211	1151	11.01
26	A"	1179	1121	0.00
27	A"	834	793	0.12
28	A"	263	250	2.28
29	A"	212	201	1.82
30	A"	113	107	3.44

Atom	x (Å)	y (Å)	z (Å)
C1	1.321	1.246	0.000
O2	0.010	0.713	0.000
C3	0.000	-0.708	0.000
C4	-1.440	-1.178	0.000
H5	1.225	2.331	0.000
H6	1.878	0.933	0.892
H7	1.878	0.933	-0.892
H8	0.532	-1.082	-0.887
H9	0.532	-1.082	0.887
H10	-1.482	-2.270	0.000
H11	-1.961	-0.810	0.885
H12	-1.961	-0.810	-0.885

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4154	2.3588	3.6744	1.0887	1.0975	1.0975	2.6130	2.6130	4.4963	3.9727	3.9727
O2	1.4154		1.4211	2.3831	2.0235	2.0825	2.0825	2.0688	2.0688	3.3348	2.6433	2.6433
C3	2.3588	1.4211		1.5151	3.2765	2.6491	2.6491	1.0996	1.0996	2.1528	2.1540	2.1540
C4	3.6744	2.3831	1.5151		4.4065	4.0333	4.0333	2.1647	2.1647	1.0922	1.0908	1.0908
H5	1.0887	2.0235	3.2765	4.4065		1.7821	1.7821	3.5932	3.5932	5.3377	4.5607	4.5607
H6	1.0975	2.0825	2.6491	4.0333	1.7821		1.7836	3.0060	2.4233	4.7271	4.2169	4.5759
H7	1.0975	2.0825	2.6491	4.0333	1.7821	1.7836		2.4233	3.0060	4.7271	4.5759	4.2169
H8	2.6130	2.0688	1.0996	2.1647	3.5932	3.0060	2.4233		1.7738	2.5008	3.0706	2.5078
H9	2.6130	2.0688	1.0996	2.1647	3.5932	2.4233	3.0060	1.7738		2.5008	2.5078	3.0706
H10	4.4963	3.3348	2.1528	1.0922	5.3377	4.7271	4.7271	2.5008	2.5008		1.7728	1.7728
H11	3.9727	2.6433	2.1540	1.0908	4.5607	4.2169	4.5759	3.0706	2.5078	1.7728		1.7699
H12	3.9727	2.6433	2.1540	1.0908	4.5607	4.5759	4.2169	2.5078	3.0706	1.7728	1.7699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.519	O2	C1	H5	107.091
O2	C1	H6	111.303	O2	C1	H7	111.303
O2	C3	C4	108.463	O2	C3	H8	109.658
O2	C3	H9	109.658	C3	C4	H10	110.264
C3	C4	H11	110.437	C3	C4	H12	110.437
C4	C3	H8	110.763	C4	C3	H9	110.763
H5	C1	H6	109.205	H5	C1	H7	109.205
H6	C1	H7	108.690	H8	C3	H9	107.527
H10	C4	H11	108.599	H10	C4	H12	108.599
H11	C4	H12	108.445

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31+G**

States and conformations

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