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	hartrees
Energy at 0K	-233.631150
Energy at 298.15K	-233.642187
HF Energy	-233.631150
Nuclear repulsion energy	186.837228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3141	3019	59.48
2	A₁	3051	2933	3.60
3	A₁	2992	2876	140.95
4	A₁	1546	1486	4.78
5	A₁	1525	1466	6.87
6	A₁	1452	1396	4.25
7	A₁	1434	1378	6.98
8	A₁	1171	1125	12.35
9	A₁	1057	1016	11.01
10	A₁	822	790	4.92
11	A₁	424	408	0.08
12	A₁	186	179	1.44
13	A₂	3153	3031	0.00
14	A₂	3029	2912	0.00
15	A₂	1504	1445	0.00
16	A₂	1287	1237	0.00
17	A₂	1163	1118	0.00
18	A₂	833	801	0.00
19	A₂	239	230	0.00
20	A₂	92	89	0.00
21	B₁	3153	3031	95.32
22	B₁	3031	2913	142.16
23	B₁	1504	1446	19.27
24	B₁	1295	1245	0.36
25	B₁	1190	1144	15.20
26	B₁	846	813	7.18
27	B₁	242	233	2.10
28	B₁	101	97	8.20
29	B₂	3140	3019	31.86
30	B₂	3050	2932	50.77
31	B₂	2980	2865	13.92
32	B₂	1533	1474	0.38
33	B₂	1521	1462	10.68
34	B₂	1439	1383	28.32
35	B₂	1384	1331	38.74
36	B₂	1128	1084	99.04
37	B₂	1105	1062	69.82
38	B₂	950	913	10.79
39	B₂	421	404	5.51

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.260
C2	0.000	1.223	-0.538
C3	0.000	-1.223	-0.538
C4	0.000	2.407	0.426
C5	0.000	-2.407	0.426
H6	0.893	1.244	-1.188
H7	-0.893	1.244	-1.188
H8	0.893	-1.244	-1.188
H9	-0.893	-1.244	-1.188
H10	0.000	3.356	-0.128
H11	0.000	-3.356	-0.128
H12	-0.888	2.376	1.068
H13	0.888	2.376	1.068
H14	0.888	-2.376	1.068
H15	-0.888	-2.376	1.068

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4599	1.4599	2.4132	2.4132	2.1075	2.1075	2.1075	2.1075	3.3781	3.3781	2.6622	2.6622	2.6622	2.6622
C2	1.4599		2.4451	1.5274	3.7558	1.1047	1.1047	2.7025	2.7025	2.1722	4.5966	2.1675	2.1675	4.0396	4.0396
C3	1.4599	2.4451		3.7558	1.5274	2.7025	2.7025	1.1047	1.1047	4.5966	2.1722	4.0396	4.0396	2.1675	2.1675
C4	2.4132	1.5274	3.7558		4.8149	2.1808	2.1808	4.0909	4.0909	1.0982	5.7897	1.0961	1.0961	4.9075	4.9075
C5	2.4132	3.7558	1.5274	4.8149		4.0909	4.0909	2.1808	2.1808	5.7897	1.0982	4.9075	4.9075	1.0961	1.0961
H6	2.1075	1.1047	2.7025	2.1808	4.0909		1.7855	2.4879	3.0623	2.5260	4.8040	3.0891	2.5243	4.2656	4.6223
H7	2.1075	1.1047	2.7025	2.1808	4.0909	1.7855		3.0623	2.4879	2.5260	4.8040	2.5243	3.0891	4.6223	4.2656
H8	2.1075	2.7025	1.1047	4.0909	2.1808	2.4879	3.0623		1.7855	4.8040	2.5260	4.6223	4.2656	2.5243	3.0891
H9	2.1075	2.7025	1.1047	4.0909	2.1808	3.0623	2.4879	1.7855		4.8040	2.5260	4.2656	4.6223	3.0891	2.5243
H10	3.3781	2.1722	4.5966	1.0982	5.7897	2.5260	2.5260	4.8040	4.8040		6.7115	1.7826	1.7826	5.9223	5.9223
H11	3.3781	4.5966	2.1722	5.7897	1.0982	4.8040	4.8040	2.5260	2.5260	6.7115		5.9223	5.9223	1.7826	1.7826
H12	2.6622	2.1675	4.0396	1.0961	4.9075	3.0891	2.5243	4.6223	4.2656	1.7826	5.9223		1.7756	5.0733	4.7524
H13	2.6622	2.1675	4.0396	1.0961	4.9075	2.5243	3.0891	4.2656	4.6223	1.7826	5.9223	1.7756		4.7524	5.0733
H14	2.6622	4.0396	2.1675	4.9075	1.0961	4.2656	4.6223	2.5243	3.0891	5.9223	1.7826	5.0733	4.7524		1.7756
H15	2.6622	4.0396	2.1675	4.9075	1.0961	4.6223	4.2656	3.0891	2.5243	5.9223	1.7826	4.7524	5.0733	1.7756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	107.743	O1	C2	H6	109.750
O1	C2	H7	109.750	O1	C3	C5	107.743
O1	C3	H8	109.750	O1	C3	H9	109.750
C2	O1	C3	113.740	C2	C4	H10	110.585
C2	C4	H12	110.334	C2	C4	H13	110.334
C3	C5	H11	110.585	C3	C5	H14	110.334
C3	C5	H15	110.334	C4	C2	H6	110.880
C4	C2	H7	110.880	C5	C3	H8	110.880
C5	C3	H9	110.880	H6	C2	H7	107.838
H8	C3	H9	107.838	H10	C4	H12	108.665
H10	C4	H13	108.665	H11	C5	H14	108.665
H11	C5	H15	108.665	H12	C4	H13	108.193
H14	C5	H15	108.193

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

using model chemistry: B3LYP/LANL2DZ

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	-0.322
2	C	-0.160
3	C	-0.160
4	C	-0.627
5	C	-0.627
6	H	0.170
7	H	0.170
8	H	0.170
9	H	0.170
10	H	0.183
11	H	0.183
12	H	0.213
13	H	0.213
14	H	0.213
15	H	0.213

<r²>	181.270
(<r²>)^1/2	13.464

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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