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	hartrees
Energy at 0K	-233.684018
Energy at 298.15K	-233.695172
HF Energy	-233.684018
Nuclear repulsion energy	189.724173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3118	3009	34.41
2	A₁	3044	2938	8.51
3	A₁	2953	2850	102.63
4	A₁	1542	1488	1.09
5	A₁	1501	1449	2.28
6	A₁	1454	1403	6.59
7	A₁	1403	1354	0.24
8	A₁	1180	1139	20.27
9	A₁	1057	1020	9.78
10	A₁	858	828	5.97
11	A₁	441	426	0.05
12	A₁	192	185	0.62
13	A₂	3120	3011	0.00
14	A₂	2969	2865	0.00
15	A₂	1484	1432	0.00
16	A₂	1293	1247	0.00
17	A₂	1174	1133	0.00
18	A₂	817	789	0.00
19	A₂	246	237	0.00
20	A₂	107	103	0.00
21	B₁	3120	3011	54.49
22	B₁	2967	2863	125.34
23	B₁	1484	1432	7.71
24	B₁	1299	1254	3.90
25	B₁	1206	1164	11.38
26	B₁	828	799	0.69
27	B₁	250	241	1.35
28	B₁	107	103	3.42
29	B₂	3118	3009	17.97
30	B₂	3044	2937	26.67
31	B₂	2940	2837	10.81
32	B₂	1519	1466	3.80
33	B₂	1498	1446	2.23
34	B₂	1411	1362	29.40
35	B₂	1384	1336	45.62
36	B₂	1168	1127	205.25
37	B₂	1094	1056	7.61
38	B₂	945	912	4.86
39	B₂	429	414	2.46

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.256
C2	0.000	1.179	-0.519
C3	0.000	-1.179	-0.519
C4	0.000	2.377	0.415
C5	0.000	-2.377	0.415
H6	0.886	1.203	-1.178
H7	-0.886	1.203	-1.178
H8	0.886	-1.203	-1.178
H9	-0.886	-1.203	-1.178
H10	0.000	3.309	-0.158
H11	0.000	-3.309	-0.158
H12	-0.886	2.363	1.057
H13	0.886	2.363	1.057
H14	0.886	-2.363	1.057
H15	-0.886	-2.363	1.057

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4111	1.4111	2.3823	2.3823	2.0707	2.0707	2.0707	2.0707	3.3349	3.3349	2.6473	2.6473	2.6473	2.6473
C2	1.4111		2.3578	1.5196	3.6767	1.1042	1.1042	2.6249	2.6249	2.1608	4.5026	2.1611	2.1611	3.9764	3.9764
C3	1.4111	2.3578		3.6767	1.5196	2.6249	2.6249	1.1042	1.1042	4.5026	2.1608	3.9764	3.9764	2.1611	2.1611
C4	2.3823	1.5196	3.6767		4.7539	2.1686	2.1686	4.0171	4.0171	1.0942	5.7149	1.0938	1.0938	4.8642	4.8642
C5	2.3823	3.6767	1.5196	4.7539		4.0171	4.0171	2.1686	2.1686	5.7149	1.0942	4.8642	4.8642	1.0938	1.0938
H6	2.0707	1.1042	2.6249	2.1686	4.0171		1.7717	2.4052	2.9873	2.5028	4.7098	3.0788	2.5179	4.2078	4.5656
H7	2.0707	1.1042	2.6249	2.1686	4.0171	1.7717		2.9873	2.4052	2.5028	4.7098	2.5179	3.0788	4.5656	4.2078
H8	2.0707	2.6249	1.1042	4.0171	2.1686	2.4052	2.9873		1.7717	4.7098	2.5028	4.5656	4.2078	2.5179	3.0788
H9	2.0707	2.6249	1.1042	4.0171	2.1686	2.9873	2.4052	1.7717		4.7098	2.5028	4.2078	4.5656	3.0788	2.5179
H10	3.3349	2.1608	4.5026	1.0942	5.7149	2.5028	2.5028	4.7098	4.7098		6.6183	1.7763	1.7763	5.8676	5.8676
H11	3.3349	4.5026	2.1608	5.7149	1.0942	4.7098	4.7098	2.5028	2.5028	6.6183		5.8676	5.8676	1.7763	1.7763
H12	2.6473	2.1611	3.9764	1.0938	4.8642	3.0788	2.5179	4.5656	4.2078	1.7763	5.8676		1.7719	5.0466	4.7254
H13	2.6473	2.1611	3.9764	1.0938	4.8642	2.5179	3.0788	4.2078	4.5656	1.7763	5.8676	1.7719		4.7254	5.0466
H14	2.6473	3.9764	2.1611	4.8642	1.0938	4.2078	4.5656	2.5179	3.0788	5.8676	1.7763	5.0466	4.7254		1.7719
H15	2.6473	3.9764	2.1611	4.8642	1.0938	4.5656	4.2078	3.0788	2.5179	5.8676	1.7763	4.7254	5.0466	1.7719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.699	O1	C2	H6	110.230
O1	C2	H7	110.230	O1	C3	C5	108.699
O1	C3	H8	110.230	O1	C3	H9	110.230
C2	O1	C3	113.323	C2	C4	H10	110.462
C2	C4	H12	110.511	C2	C4	H13	110.511
C3	C5	H11	110.462	C3	C5	H14	110.511
C3	C5	H15	110.511	C4	C2	H6	110.490
C4	C2	H7	110.490	C5	C3	H8	110.490
C5	C3	H9	110.490	H6	C2	H7	106.698
H8	C3	H9	106.698	H10	C4	H12	108.551
H10	C4	H13	108.551	H11	C5	H14	108.551
H11	C5	H15	108.551	H12	C4	H13	108.185
H14	C5	H15	108.185

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

using model chemistry: B3LYP/6-31G(2df,p)

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	-0.238
2	C	-0.025
3	C	-0.025
4	C	-0.383
5	C	-0.383
6	H	0.082
7	H	0.082
8	H	0.082
9	H	0.082
10	H	0.112
11	H	0.112
12	H	0.125
13	H	0.125
14	H	0.125
15	H	0.125

<r²>	176.736
(<r²>)^1/2	13.294

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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