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	hartrees
Energy at 0K	-232.774901
Energy at 298.15K	-232.786294
HF Energy	-232.144507
Nuclear repulsion energy	190.806600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3251	3003	37.86
2	A₁	3173	2931	3.52
3	A₁	3115	2878	95.69
4	A₁	1642	1517	0.15
5	A₁	1598	1476	5.38
6	A₁	1554	1436	4.26
7	A₁	1496	1382	0.58
8	A₁	1261	1165	26.09
9	A₁	1131	1044	10.81
10	A₁	919	849	7.50
11	A₁	463	428	0.19
12	A₁	202	187	0.73
13	A₂	3261	3012	0.00
14	A₂	3142	2902	0.00
15	A₂	1580	1460	0.00
16	A₂	1370	1265	0.00
17	A₂	1246	1151	0.00
18	A₂	860	794	0.00
19	A₂	269	248	0.00
20	A₂	99	91	0.00
21	B₁	3261	3013	57.35
22	B₁	3143	2903	121.47
23	B₁	1581	1460	9.14
24	B₁	1379	1274	3.27
25	B₁	1279	1181	13.87
26	B₁	875	808	0.29
27	B₁	277	255	2.04
28	B₁	114	105	5.29
29	B₂	3251	3003	20.44
30	B₂	3172	2930	30.28
31	B₂	3103	2866	5.38
32	B₂	1623	1500	4.24
33	B₂	1596	1474	0.59
34	B₂	1517	1402	52.02
35	B₂	1472	1359	50.80
36	B₂	1265	1168	191.67
37	B₂	1167	1078	1.60
38	B₂	1005	928	4.31
39	B₂	454	419	3.46

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.252
C2	0.000	1.174	-0.522
C3	0.000	-1.174	-0.522
C4	0.000	2.359	0.417
C5	0.000	-2.359	0.417
H6	0.882	1.197	-1.172
H7	-0.882	1.197	-1.172
H8	0.882	-1.197	-1.172
H9	-0.882	-1.197	-1.172
H10	0.000	3.293	-0.143
H11	0.000	-3.293	-0.143
H12	-0.882	2.334	1.054
H13	0.882	2.334	1.054
H14	0.882	-2.334	1.054
H15	-0.882	-2.334	1.054

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4062	1.4062	2.3646	2.3646	2.0581	2.0581	2.0581	2.0581	3.3163	3.3163	2.6211	2.6211	2.6211	2.6211
C2	1.4062		2.3486	1.5118	3.6559	1.0954	1.0954	2.6121	2.6121	2.1521	4.4831	2.1462	2.1462	3.9460	3.9460
C3	1.4062	2.3486		3.6559	1.5118	2.6121	2.6121	1.0954	1.0954	4.4831	2.1521	3.9460	3.9460	2.1462	2.1462
C4	2.3646	1.5118	3.6559		4.7177	2.1568	2.1568	3.9934	3.9934	1.0891	5.6793	1.0877	1.0877	4.8175	4.8175
C5	2.3646	3.6559	1.5118	4.7177		3.9934	3.9934	2.1568	2.1568	5.6793	1.0891	4.8175	4.8175	1.0877	1.0877
H6	2.0581	1.0954	2.6121	2.1568	3.9934		1.7634	2.3943	2.9736	2.4954	4.6899	3.0586	2.4990	4.1741	4.5314
H7	2.0581	1.0954	2.6121	2.1568	3.9934	1.7634		2.9736	2.3943	2.4954	4.6899	2.4990	3.0586	4.5314	4.1741
H8	2.0581	2.6121	1.0954	3.9934	2.1568	2.3943	2.9736		1.7634	4.6899	2.4954	4.5314	4.1741	2.4990	3.0586
H9	2.0581	2.6121	1.0954	3.9934	2.1568	2.9736	2.3943	1.7634		4.6899	2.4954	4.1741	4.5314	3.0586	2.4990
H10	3.3163	2.1521	4.4831	1.0891	5.6793	2.4954	2.4954	4.6899	4.6899		6.5855	1.7686	1.7686	5.8201	5.8201
H11	3.3163	4.4831	2.1521	5.6793	1.0891	4.6899	4.6899	2.4954	2.4954	6.5855		5.8201	5.8201	1.7686	1.7686
H12	2.6211	2.1462	3.9460	1.0877	4.8175	3.0586	2.4990	4.5314	4.1741	1.7686	5.8201		1.7636	4.9906	4.6686
H13	2.6211	2.1462	3.9460	1.0877	4.8175	2.4990	3.0586	4.1741	4.5314	1.7686	5.8201	1.7636		4.6686	4.9906
H14	2.6211	3.9460	2.1462	4.8175	1.0877	4.1741	4.5314	2.4990	3.0586	5.8201	1.7686	4.9906	4.6686		1.7636
H15	2.6211	3.9460	2.1462	4.8175	1.0877	4.5314	4.1741	3.0586	2.4990	5.8201	1.7686	4.6686	4.9906	1.7636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.211	O1	C2	H6	110.101
O1	C2	H7	110.101	O1	C3	C5	108.211
O1	C3	H8	110.101	O1	C3	H9	110.101
C2	O1	C3	113.253	C2	C4	H10	110.628
C2	C4	H12	110.233	C2	C4	H13	110.233
C3	C5	H11	110.628	C3	C5	H14	110.233
C3	C5	H15	110.233	C4	C2	H6	110.617
C4	C2	H7	110.617	C5	C3	H8	110.617
C5	C3	H9	110.617	H6	C2	H7	107.201
H8	C3	H9	107.201	H10	C4	H12	108.678
H10	C4	H13	108.678	H11	C5	H14	108.678
H11	C5	H15	108.678	H12	C4	H13	108.332
H14	C5	H15	108.332

All results from a given calculation for C₄H₁₀O (Ethoxy ethane)

using model chemistry: CID/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 C4H10O (Ethoxy ethane)

using model chemistry: CID/6-31G*

States and conformations

All results from a given calculation for C₄H₁₀O (Ethoxy ethane)