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	hartrees
Energy at 0K	-231.346322
Energy at 298.15K	-231.357493
HF Energy	-230.858832
Nuclear repulsion energy	186.914954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3176	3021	25.59
2	A₁	3101	2950	2.72
3	A₁	3035	2887	73.63
4	A₁	1638	1559	0.01
5	A₁	1607	1528	5.79
6	A₁	1492	1419	7.74
7	A₁	1488	1416	0.01
8	A₁	1194	1136	8.69
9	A₁	1026	976	2.59
10	A₁	835	795	7.03
11	A₁	430	409	0.24
12	A₁	184	175	0.73
13	A₂	3188	3033	0.00
14	A₂	3065	2916	0.00
15	A₂	1589	1512	0.00
16	A₂	1350	1284	0.00
17	A₂	1206	1147	0.00
18	A₂	873	830	0.00
19	A₂	253	241	0.00
20	A₂	106	100	0.00
21	B₁	3188	3033	43.36
22	B₁	3065	2916	109.04
23	B₁	1589	1512	9.24
24	B₁	1348	1283	0.03
25	B₁	1237	1177	11.53
26	B₁	883	840	1.64
27	B₁	260	247	2.23
28	B₁	95	91	5.43
29	B₂	3176	3021	16.01
30	B₂	3100	2949	21.81
31	B₂	3030	2883	4.57
32	B₂	1623	1544	4.76
33	B₂	1605	1526	5.51
34	B₂	1490	1418	9.77
35	B₂	1422	1353	71.90
36	B₂	1153	1097	45.36
37	B₂	1093	1039	84.69
38	B₂	947	901	2.92
39	B₂	410	390	6.22

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.271
C2	0.000	1.218	-0.554
C3	0.000	-1.218	-0.554
C4	0.000	2.393	0.434
C5	0.000	-2.393	0.434
H6	0.890	1.249	-1.200
H7	-0.890	1.249	-1.200
H8	0.890	-1.249	-1.200
H9	-0.890	-1.249	-1.200
H10	0.000	3.349	-0.099
H11	0.000	-3.349	-0.099
H12	-0.888	2.332	1.068
H13	0.888	2.332	1.068
H14	0.888	-2.332	1.068
H15	-0.888	-2.332	1.068

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4708	1.4708	2.3984	2.3984	2.1251	2.1251	2.1251	2.1251	3.3694	3.3694	2.6194	2.6194	2.6194	2.6194
C2	1.4708		2.4360	1.5350	3.7435	1.1003	1.1003	2.7013	2.7013	2.1791	4.5897	2.1588	2.1588	4.0025	4.0025
C3	1.4708	2.4360		3.7435	1.5350	2.7013	2.7013	1.1003	1.1003	4.5897	2.1791	4.0025	4.0025	2.1588	2.1588
C4	2.3984	1.5350	3.7435		4.7856	2.1843	2.1843	4.0899	4.0899	1.0948	5.7666	1.0929	1.0929	4.8488	4.8488
C5	2.3984	3.7435	1.5350	4.7856		4.0899	4.0899	2.1843	2.1843	5.7666	1.0948	4.8488	4.8488	1.0929	1.0929
H6	2.1251	1.1003	2.7013	2.1843	4.0899		1.7796	2.4985	3.0675	2.5326	4.8114	3.0788	2.5138	4.2391	4.5967
H7	2.1251	1.1003	2.7013	2.1843	4.0899	1.7796		3.0675	2.4985	2.5326	4.8114	2.5138	3.0788	4.5967	4.2391
H8	2.1251	2.7013	1.1003	4.0899	2.1843	2.4985	3.0675		1.7796	4.8114	2.5326	4.5967	4.2391	2.5138	3.0788
H9	2.1251	2.7013	1.1003	4.0899	2.1843	3.0675	2.4985	1.7796		4.8114	2.5326	4.2391	4.5967	3.0788	2.5138
H10	3.3694	2.1791	4.5897	1.0948	5.7666	2.5326	2.5326	4.8114	4.8114		6.6982	1.7850	1.7850	5.8670	5.8670
H11	3.3694	4.5897	2.1791	5.7666	1.0948	4.8114	4.8114	2.5326	2.5326	6.6982		5.8670	5.8670	1.7850	1.7850
H12	2.6194	2.1588	4.0025	1.0929	4.8488	3.0788	2.5138	4.5967	4.2391	1.7850	5.8670		1.7757	4.9899	4.6632
H13	2.6194	2.1588	4.0025	1.0929	4.8488	2.5138	3.0788	4.2391	4.5967	1.7850	5.8670	1.7757		4.6632	4.9899
H14	2.6194	4.0025	2.1588	4.8488	1.0929	4.2391	4.5967	2.5138	3.0788	5.8670	1.7850	4.9899	4.6632		1.7757
H15	2.6194	4.0025	2.1588	4.8488	1.0929	4.5967	4.2391	3.0788	2.5138	5.8670	1.7850	4.6632	4.9899	1.7757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	105.841	O1	C2	H6	110.663
O1	C2	H7	110.663	O1	C3	C5	105.841
O1	C3	H8	110.663	O1	C3	H9	110.663
C2	O1	C3	111.810	C2	C4	H10	110.800
C2	C4	H12	109.314	C2	C4	H13	109.314
C3	C5	H11	110.800	C3	C5	H14	109.314
C3	C5	H15	109.314	C4	C2	H6	110.884
C4	C2	H7	110.884	C5	C3	H8	110.884
C5	C3	H9	110.884	H6	C2	H7	107.933
H8	C3	H9	107.933	H10	C4	H12	109.358
H10	C4	H13	109.358	H11	C5	H14	109.358
H11	C5	H15	109.358	H12	C4	H13	108.663
H14	C5	H15	108.663

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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