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	hartrees
Energy at 0K	-194.112734
Energy at 298.15K	-194.121738
HF Energy	-193.920103
Nuclear repulsion energy	133.567772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3012	32.87
2	A'	3169	3006	26.68
3	A'	3093	2933	15.83
4	A'	3025	2869	77.70
5	A'	3005	2850	38.22
6	A'	1585	1503	0.56
7	A'	1558	1478	4.71
8	A'	1551	1471	5.84
9	A'	1522	1443	0.33
10	A'	1471	1395	37.27
11	A'	1436	1362	10.92
12	A'	1263	1198	44.17
13	A'	1184	1123	133.82
14	A'	1143	1084	4.76
15	A'	1053	999	15.98
16	A'	887	841	12.06
17	A'	473	449	0.62
18	A'	292	277	2.90
19	A"	3178	3014	27.67
20	A"	3072	2913	67.20
21	A"	3036	2879	74.74
22	A"	1537	1458	6.29
23	A"	1535	1456	2.80
24	A"	1327	1258	1.10
25	A"	1230	1167	10.12
26	A"	1193	1132	0.01
27	A"	843	800	0.24
28	A"	274	260	2.32
29	A"	220	208	1.29
30	A"	118	111	2.97

Atom	x (Å)	y (Å)	z (Å)
C1	1.321	1.235	0.000
O2	0.012	0.711	0.000
C3	0.000	-0.705	0.000
C4	-1.444	-1.168	0.000
H5	1.233	2.322	0.000
H6	1.884	0.921	0.891
H7	1.884	0.921	-0.891
H8	0.531	-1.089	-0.886
H9	0.531	-1.089	0.886
H10	-1.497	-2.260	0.000
H11	-1.962	-0.793	0.885
H12	-1.962	-0.793	-0.885

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4106	2.3474	3.6630	1.0908	1.0998	1.0998	2.6093	2.6093	4.4897	3.9588	3.9588
O2	1.4106		1.4163	2.3763	2.0220	2.0847	2.0847	2.0720	2.0720	3.3319	2.6340	2.6340
C3	2.3474	1.4163		1.5160	3.2690	2.6441	2.6441	1.1017	1.1017	2.1583	2.1540	2.1540
C4	3.6630	2.3763	1.5160		4.3982	4.0293	4.0293	2.1659	2.1659	1.0935	1.0922	1.0922
H5	1.0908	2.0220	3.2690	4.3982		1.7834	1.7834	3.5933	3.5933	5.3338	4.5489	4.5489
H6	1.0998	2.0847	2.6441	4.0293	1.7834		1.7820	3.0049	2.4233	4.7276	4.2107	4.5701
H7	1.0998	2.0847	2.6441	4.0293	1.7834	1.7820		2.4233	3.0049	4.7276	4.5701	4.2107
H8	2.6093	2.0720	1.1017	2.1659	3.5933	3.0049	2.4233		1.7717	2.5041	3.0723	2.5102
H9	2.6093	2.0720	1.1017	2.1659	3.5933	2.4233	3.0049	1.7717		2.5041	2.5102	3.0723
H10	4.4897	3.3319	2.1583	1.0935	5.3338	4.7276	4.7276	2.5041	2.5041		1.7755	1.7755
H11	3.9588	2.6340	2.1540	1.0922	4.5489	4.2107	4.5701	3.0723	2.5102	1.7755		1.7710
H12	3.9588	2.6340	2.1540	1.0922	4.5489	4.5701	4.2107	2.5102	3.0723	1.7755	1.7710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.277	O2	C1	H5	107.180
O2	C1	H6	111.691	O2	C1	H7	111.691
O2	C3	C4	108.220	O2	C3	H8	110.124
O2	C3	H9	110.124	C3	C4	H10	110.562
C3	C4	H11	110.295	C3	C4	H12	110.295
C4	C3	H8	110.668	C4	C3	H9	110.668
H5	C1	H6	109.000	H5	C1	H7	109.000
H6	C1	H7	108.220	H8	C3	H9	107.046
H10	C4	H11	108.648	H10	C4	H12	108.648
H11	C4	H12	108.334

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

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

States and conformations

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