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	hartrees
Energy at 0K	-233.548541
Energy at 298.15K	-233.559574
HF Energy	-233.548541
Nuclear repulsion energy	187.829995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3049	3026	41.70
2	A₁	2979	2956	8.73
3	A₁	2881	2859	114.79
4	A₁	1516	1504	0.09
5	A₁	1481	1469	2.41
6	A₁	1417	1406	6.84
7	A₁	1378	1367	0.00
8	A₁	1144	1135	15.86
9	A₁	1011	1003	9.25
10	A₁	827	820	8.21
11	A₁	427	423	0.03
12	A₁	188	186	0.65
13	A₂	3054	3030	0.00
14	A₂	2895	2873	0.00
15	A₂	1463	1452	0.00
16	A₂	1258	1248	0.00
17	A₂	1141	1132	0.00
18	A₂	804	798	0.00
19	A₂	248	246	0.00
20	A₂	104	103	0.00
21	B₁	3054	3030	63.82
22	B₁	2893	2871	148.96
23	B₁	1463	1451	7.53
24	B₁	1263	1254	2.01
25	B₁	1175	1166	10.73
26	B₁	813	807	0.88
27	B₁	250	248	1.36
28	B₁	102	101	3.62
29	B₂	3049	3025	19.08
30	B₂	2979	2956	31.19
31	B₂	2866	2844	14.17
32	B₂	1495	1483	3.01
33	B₂	1477	1465	4.58
34	B₂	1387	1376	18.86
35	B₂	1347	1337	63.91
36	B₂	1102	1093	164.27
37	B₂	1059	1051	43.20
38	B₂	916	909	7.54
39	B₂	420	417	2.50

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.266
C2	0.000	1.195	-0.527
C3	0.000	-1.195	-0.527
C4	0.000	2.399	0.417
C5	0.000	-2.399	0.417
H6	0.893	1.218	-1.189
H7	-0.893	1.218	-1.189
H8	0.893	-1.218	-1.189
H9	-0.893	-1.218	-1.189
H10	0.000	3.338	-0.157
H11	0.000	-3.338	-0.157
H12	-0.892	2.385	1.063
H13	0.892	2.385	1.063
H14	0.892	-2.385	1.063
H15	-0.892	-2.385	1.063

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4339	1.4339	2.4035	2.4035	2.0971	2.0971	2.0971	2.0971	3.3651	3.3651	2.6676	2.6676	2.6676	2.6676
C2	1.4339		2.3897	1.5299	3.7155	1.1117	1.1117	2.6566	2.6566	2.1751	4.5482	2.1765	2.1765	4.0167	4.0167
C3	1.4339	2.3897		3.7155	1.5299	2.6566	2.6566	1.1117	1.1117	4.5482	2.1751	4.0167	4.0167	2.1765	2.1765
C4	2.4035	1.5299	3.7155		4.7974	2.1843	2.1843	4.0569	4.0569	1.1016	5.7658	1.1008	1.1008	4.9084	4.9084
C5	2.4035	3.7155	1.5299	4.7974		4.0569	4.0569	2.1843	2.1843	5.7658	1.1016	4.9084	4.9084	1.1008	1.1008
H6	2.0971	1.1117	2.6566	2.1843	4.0569		1.7852	2.4362	3.0202	2.5211	4.7562	3.1008	2.5361	4.2486	4.6080
H7	2.0971	1.1117	2.6566	2.1843	4.0569	1.7852		3.0202	2.4362	2.5211	4.7562	2.5361	3.1008	4.6080	4.2486
H8	2.0971	2.6566	1.1117	4.0569	2.1843	2.4362	3.0202		1.7852	4.7562	2.5211	4.6080	4.2486	2.5361	3.1008
H9	2.0971	2.6566	1.1117	4.0569	2.1843	3.0202	2.4362	1.7852		4.7562	2.5211	4.2486	4.6080	3.1008	2.5361
H10	3.3651	2.1751	4.5482	1.1016	5.7658	2.5211	2.5211	4.7562	4.7562		6.6767	1.7871	1.7871	5.9192	5.9192
H11	3.3651	4.5482	2.1751	5.7658	1.1016	4.7562	4.7562	2.5211	2.5211	6.6767		5.9192	5.9192	1.7871	1.7871
H12	2.6676	2.1765	4.0167	1.1008	4.9084	3.1008	2.5361	4.6080	4.2486	1.7871	5.9192		1.7832	5.0917	4.7693
H13	2.6676	2.1765	4.0167	1.1008	4.9084	2.5361	3.1008	4.2486	4.6080	1.7871	5.9192	1.7832		4.7693	5.0917
H14	2.6676	4.0167	2.1765	4.9084	1.1008	4.2486	4.6080	2.5361	3.1008	5.9192	1.7871	5.0917	4.7693		1.7832
H15	2.6676	4.0167	2.1765	4.9084	1.1008	4.6080	4.2486	3.1008	2.5361	5.9192	1.7871	4.7693	5.0917	1.7832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.333	O1	C2	H6	110.292
O1	C2	H7	110.292	O1	C3	C5	108.333
O1	C3	H8	110.292	O1	C3	H9	110.292
C2	O1	C3	112.872	C2	C4	H10	110.436
C2	C4	H12	110.595	C2	C4	H13	110.595
C3	C5	H11	110.436	C3	C5	H14	110.595
C3	C5	H15	110.595	C4	C2	H6	110.559
C4	C2	H7	110.559	C5	C3	H8	110.559
C5	C3	H9	110.559	H6	C2	H7	106.813
H8	C3	H9	106.813	H10	C4	H12	108.479
H10	C4	H13	108.479	H11	C5	H14	108.479
H11	C5	H15	108.479	H12	C4	H13	108.183
H14	C5	H15	108.183

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

using model chemistry: BLYP/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	-0.448
2	C	0.094
3	C	0.094
4	C	-0.297
5	C	-0.297
6	H	0.064
7	H	0.064
8	H	0.064
9	H	0.064
10	H	0.088
11	H	0.088
12	H	0.105
13	H	0.105
14	H	0.105
15	H	0.105

<r²>	179.879
(<r²>)^1/2	13.412

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

using model chemistry: BLYP/6-31G**

States and conformations

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