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	hartrees
Energy at 0K	-44.120929
Energy at 298.15K	-44.132117
HF Energy	-43.455396
Nuclear repulsion energy	109.463418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3194	3033	48.10
2	A₁	3097	2941	3.11
3	A₁	3043	2889	131.47
4	A₁	1557	1478	0.89
5	A₁	1527	1450	6.42
6	A₁	1480	1405	2.57
7	A₁	1420	1349	0.90
8	A₁	1196	1136	19.88
9	A₁	1082	1027	15.74
10	A₁	871	827	6.50
11	A₁	442	419	0.07
12	A₁	194	184	0.92
13	A₂	3207	3045	0.00
14	A₂	3096	2939	0.00
15	A₂	1510	1434	0.00
16	A₂	1308	1242	0.00
17	A₂	1184	1125	0.00
18	A₂	823	782	0.00
19	A₂	257	244	0.00
20	A₂	93	88	0.00
21	B₁	3207	3045	72.48
22	B₁	3092	2935	131.85
23	B₁	1510	1434	11.07
24	B₁	1316	1249	1.13
25	B₁	1213	1152	13.79
26	B₁	840	797	1.83
27	B₁	263	250	1.88
28	B₁	118	112	5.88
29	B₂	3194	3032	24.14
30	B₂	3097	2940	46.44
31	B₂	3036	2883	11.00
32	B₂	1543	1465	1.75
33	B₂	1524	1447	0.61
34	B₂	1447	1374	49.35
35	B₂	1398	1327	37.75
36	B₂	1171	1111	173.79
37	B₂	1122	1065	1.51
38	B₂	961	912	6.10
39	B₂	426	405	4.18

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.286
C2	0.000	1.182	-0.528
C3	0.000	-1.182	-0.528
C4	0.000	2.396	0.411
C5	0.000	-2.396	0.411
H6	0.898	1.188	-1.183
H7	-0.898	1.188	-1.183
H8	0.898	-1.188	-1.183
H9	-0.898	-1.188	-1.183
H10	0.000	3.332	-0.177
H11	0.000	-3.332	-0.177
H12	-0.896	2.377	1.053
H13	0.896	2.377	1.053
H14	0.896	-2.377	1.053
H15	-0.896	-2.377	1.053

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4351	1.4351	2.3992	2.3992	2.0917	2.0917	2.0917	2.0917	3.3640	3.3640	2.6540	2.6540	2.6540	2.6540
C2	1.4351		2.3635	1.5349	3.6988	1.1113	1.1113	2.6175	2.6175	2.1788	4.5274	2.1759	2.1759	3.9964	3.9964
C3	1.4351	2.3635		3.6988	1.5349	2.6175	2.6175	1.1113	1.1113	4.5274	2.1788	3.9964	3.9964	2.1759	2.1759
C4	2.3992	1.5349	3.6988		4.7918	2.1918	2.1918	4.0238	4.0238	1.1053	5.7580	1.1032	1.1032	4.8989	4.8989
C5	2.3992	3.6988	1.5349	4.7918		4.0238	4.0238	2.1918	2.1918	5.7580	1.1053	4.8989	4.8989	1.1032	1.1032
H6	2.0917	1.1113	2.6175	2.1918	4.0238		1.7966	2.3763	2.9790	2.5326	4.7170	3.1039	2.5324	4.2085	4.5752
H7	2.0917	1.1113	2.6175	2.1918	4.0238	1.7966		2.9790	2.3763	2.5326	4.7170	2.5324	3.1039	4.5752	4.2085
H8	2.0917	2.6175	1.1113	4.0238	2.1918	2.3763	2.9790		1.7966	4.7170	2.5326	4.5752	4.2085	2.5324	3.1039
H9	2.0917	2.6175	1.1113	4.0238	2.1918	2.9790	2.3763	1.7966		4.7170	2.5326	4.2085	4.5752	3.1039	2.5324
H10	3.3640	2.1788	4.5274	1.1053	5.7580	2.5326	2.5326	4.7170	4.7170		6.6641	1.7970	1.7970	5.9087	5.9087
H11	3.3640	4.5274	2.1788	5.7580	1.1053	4.7170	4.7170	2.5326	2.5326	6.6641		5.9087	5.9087	1.7970	1.7970
H12	2.6540	2.1759	3.9964	1.1032	4.8989	3.1039	2.5324	4.5752	4.2085	1.7970	5.9087		1.7929	5.0812	4.7544
H13	2.6540	2.1759	3.9964	1.1032	4.8989	2.5324	3.1039	4.2085	4.5752	1.7970	5.9087	1.7929		4.7544	5.0812
H14	2.6540	3.9964	2.1759	4.8989	1.1032	4.2085	4.5752	2.5324	3.1039	5.9087	1.7970	5.0812	4.7544		1.7929
H15	2.6540	3.9964	2.1759	4.8989	1.1032	4.5752	4.2085	3.1039	2.5324	5.9087	1.7970	4.7544	5.0812	1.7929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	107.713	O1	C2	H6	109.804
O1	C2	H7	109.804	O1	C3	C5	107.713
O1	C3	H8	109.804	O1	C3	H9	109.804
C2	O1	C3	110.862	C2	C4	H10	110.162
C2	C4	H12	110.058	C2	C4	H13	110.058
C3	C5	H11	110.162	C3	C5	H14	110.058
C3	C5	H15	110.058	C4	C2	H6	110.828
C4	C2	H7	110.828	C5	C3	H8	110.828
C5	C3	H9	110.828	H6	C2	H7	107.867
H8	C3	H9	107.867	H10	C4	H12	108.911
H10	C4	H13	108.911	H11	C5	H14	108.911
H11	C5	H15	108.911	H12	C4	H13	108.705
H14	C5	H15	108.705

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

using model chemistry: MP2/CEP-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: MP2/CEP-31G*

States and conformations

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