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	hartrees
Energy at 0K	-233.597358
Energy at 298.15K	-233.608485
HF Energy	-233.597358
Nuclear repulsion energy	187.585137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3132	3013	42.90
2	A₁	3056	2940	4.82
3	A₁	2988	2874	103.24
4	A₁	1577	1517	0.77
5	A₁	1548	1489	5.60
6	A₁	1468	1412	6.16
7	A₁	1455	1399	0.71
8	A₁	1184	1139	10.87
9	A₁	1056	1016	7.39
10	A₁	833	801	8.02
11	A₁	434	417	0.09
12	A₁	189	181	1.00
13	A₂	3144	3024	0.00
14	A₂	3015	2900	0.00
15	A₂	1530	1471	0.00
16	A₂	1308	1258	0.00
17	A₂	1180	1135	0.00
18	A₂	849	816	0.00
19	A₂	246	237	0.00
20	A₂	99	95	0.00
21	B₁	3144	3025	67.14
22	B₁	3016	2901	134.11
23	B₁	1530	1471	12.68
24	B₁	1311	1262	0.37
25	B₁	1211	1165	14.73
26	B₁	859	827	2.23
27	B₁	248	239	2.13
28	B₁	99	95	6.64
29	B₂	3132	3013	21.26
30	B₂	3056	2940	36.52
31	B₂	2978	2865	7.72
32	B₂	1561	1502	2.53
33	B₂	1545	1486	7.73
34	B₂	1459	1404	13.97
35	B₂	1398	1345	58.69
36	B₂	1134	1091	56.23
37	B₂	1100	1059	115.89
38	B₂	958	921	15.65
39	B₂	428	412	4.30

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.254
C2	0.000	1.219	-0.537
C3	0.000	-1.219	-0.537
C4	0.000	2.393	0.428
C5	0.000	-2.393	0.428
H6	0.889	1.242	-1.189
H7	-0.889	1.242	-1.189
H8	0.889	-1.242	-1.189
H9	-0.889	-1.242	-1.189
H10	0.000	3.343	-0.119
H11	0.000	-3.343	-0.119
H12	-0.886	2.359	1.069
H13	0.886	2.359	1.069
H14	0.886	-2.359	1.069
H15	-0.886	-2.359	1.069

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4531	1.4531	2.3996	2.3996	2.1007	2.1007	2.1007	2.1007	3.3639	3.3639	2.6486	2.6486	2.6486	2.6486
C2	1.4531		2.4376	1.5204	3.7389	1.1024	1.1024	2.6961	2.6961	2.1653	4.5812	2.1602	2.1602	4.0208	4.0208
C3	1.4531	2.4376		3.7389	1.5204	2.6961	2.6961	1.1024	1.1024	4.5812	2.1653	4.0208	4.0208	2.1602	2.1602
C4	2.3996	1.5204	3.7389		4.7866	2.1749	2.1749	4.0765	4.0765	1.0960	5.7625	1.0945	1.0945	4.8765	4.8765
C5	2.3996	3.7389	1.5204	4.7866		4.0765	4.0765	2.1749	2.1749	5.7625	1.0960	4.8765	4.8765	1.0945	1.0945
H6	2.1007	1.1024	2.6961	2.1749	4.0765		1.7784	2.4836	3.0546	2.5201	4.7914	3.0819	2.5190	4.2500	4.6060
H7	2.1007	1.1024	2.6961	2.1749	4.0765	1.7784		3.0546	2.4836	2.5201	4.7914	2.5190	3.0819	4.6060	4.2500
H8	2.1007	2.6961	1.1024	4.0765	2.1749	2.4836	3.0546		1.7784	4.7914	2.5201	4.6060	4.2500	2.5190	3.0819
H9	2.1007	2.6961	1.1024	4.0765	2.1749	3.0546	2.4836	1.7784		4.7914	2.5201	4.2500	4.6060	3.0819	2.5190
H10	3.3639	2.1653	4.5812	1.0960	5.7625	2.5201	2.5201	4.7914	4.7914		6.6864	1.7792	1.7792	5.8916	5.8916
H11	3.3639	4.5812	2.1653	5.7625	1.0960	4.7914	4.7914	2.5201	2.5201	6.6864		5.8916	5.8916	1.7792	1.7792
H12	2.6486	2.1602	4.0208	1.0945	4.8765	3.0819	2.5190	4.6060	4.2500	1.7792	5.8916		1.7728	5.0399	4.7178
H13	2.6486	2.1602	4.0208	1.0945	4.8765	2.5190	3.0819	4.2500	4.6060	1.7792	5.8916	1.7728		4.7178	5.0399
H14	2.6486	4.0208	2.1602	4.8765	1.0945	4.2500	4.6060	2.5190	3.0819	5.8916	1.7792	5.0399	4.7178		1.7728
H15	2.6486	4.0208	2.1602	4.8765	1.0945	4.6060	4.2500	3.0819	2.5190	5.8916	1.7792	4.7178	5.0399	1.7728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	107.590	O1	C2	H6	109.824
O1	C2	H7	109.824	O1	C3	C5	107.590
O1	C3	H8	109.824	O1	C3	H9	109.824
C2	O1	C3	114.020	C2	C4	H10	110.652
C2	C4	H12	110.344	C2	C4	H13	110.344
C3	C5	H11	110.652	C3	C5	H14	110.344
C3	C5	H15	110.344	C4	C2	H6	111.038
C4	C2	H7	111.038	C5	C3	H8	111.038
C5	C3	H9	111.038	H6	C2	H7	107.533
H8	C3	H9	107.533	H10	C4	H12	108.630
H10	C4	H13	108.630	H11	C5	H14	108.630
H11	C5	H15	108.630	H12	C4	H13	108.172
H14	C5	H15	108.172

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	O	-0.528
2	C	0.003
3	C	0.003
4	C	-0.407
5	C	-0.407
6	H	0.118
7	H	0.118
8	H	0.118
9	H	0.118
10	H	0.128
11	H	0.128
12	H	0.151
13	H	0.151
14	H	0.151
15	H	0.151

<r²>	180.085
(<r²>)^1/2	13.420

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

using model chemistry: B3LYP/6-31G

States and conformations

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