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	hartrees
Energy at 0K	-233.344322
Energy at 298.15K	-233.355389
HF Energy	-233.344322
Nuclear repulsion energy	188.814684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3076	3026	32.53
2	A₁	2997	2947	8.97
3	A₁	2893	2846	111.79
4	A₁	1520	1495	0.70
5	A₁	1485	1461	3.23
6	A₁	1420	1397	6.90
7	A₁	1374	1351	0.40
8	A₁	1158	1139	18.88
9	A₁	1043	1026	11.90
10	A₁	842	828	5.47
11	A₁	433	426	0.01
12	A₁	188	184	0.66
13	A₂	3078	3027	0.00
14	A₂	2911	2863	0.00
15	A₂	1466	1442	0.00
16	A₂	1263	1242	0.00
17	A₂	1144	1125	0.00
18	A₂	802	789	0.00
19	A₂	251	247	0.00
20	A₂	103	101	0.00
21	B₁	3078	3027	50.78
22	B₁	2907	2859	144.64
23	B₁	1466	1442	11.41
24	B₁	1267	1246	2.28
25	B₁	1178	1158	11.95
26	B₁	813	799	1.73
27	B₁	254	250	1.29
28	B₁	106	104	3.54
29	B₂	3076	3025	15.82
30	B₂	2996	2947	25.64
31	B₂	2880	2832	13.17
32	B₂	1499	1474	2.63
33	B₂	1481	1457	5.38
34	B₂	1387	1364	33.48
35	B₂	1346	1324	50.60
36	B₂	1141	1122	199.34
37	B₂	1077	1060	6.45
38	B₂	932	917	5.12
39	B₂	422	415	3.07

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.272
C2	0.000	1.181	-0.520
C3	0.000	-1.181	-0.520
C4	0.000	2.385	0.410
C5	0.000	-2.385	0.410
H6	0.894	1.200	-1.185
H7	-0.894	1.200	-1.185
H8	0.894	-1.200	-1.185
H9	-0.894	-1.200	-1.185
H10	0.000	3.322	-0.171
H11	0.000	-3.322	-0.171
H12	-0.893	2.374	1.057
H13	0.893	2.374	1.057
H14	0.893	-2.374	1.057
H15	-0.893	-2.374	1.057

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4219	1.4219	2.3887	2.3887	2.0883	2.0883	2.0883	2.0883	3.3517	3.3517	2.6546	2.6546	2.6546	2.6546
C2	1.4219		2.3613	1.5218	3.6848	1.1140	1.1140	2.6281	2.6281	2.1701	4.5166	2.1697	2.1697	3.9896	3.9896
C3	1.4219	2.3613		3.6848	1.5218	2.6281	2.6281	1.1140	1.1140	4.5166	2.1701	3.9896	3.9896	2.1697	2.1697
C4	2.3887	1.5218	3.6848		4.7694	2.1790	2.1790	4.0239	4.0239	1.1030	5.7366	1.1025	1.1025	4.8843	4.8843
C5	2.3887	3.6848	1.5218	4.7694		4.0239	4.0239	2.1790	2.1790	5.7366	1.1030	4.8843	4.8843	1.1025	1.1025
H6	2.0883	1.1140	2.6281	2.1790	4.0239		1.7876	2.3994	2.9921	2.5167	4.7199	3.0978	2.5306	4.2183	4.5811
H7	2.0883	1.1140	2.6281	2.1790	4.0239	1.7876		2.9921	2.3994	2.5167	4.7199	2.5306	3.0978	4.5811	4.2183
H8	2.0883	2.6281	1.1140	4.0239	2.1790	2.3994	2.9921		1.7876	4.7199	2.5167	4.5811	4.2183	2.5306	3.0978
H9	2.0883	2.6281	1.1140	4.0239	2.1790	2.9921	2.3994	1.7876		4.7199	2.5167	4.2183	4.5811	3.0978	2.5306
H10	3.3517	2.1701	4.5166	1.1030	5.7366	2.5167	2.5167	4.7199	4.7199		6.6448	1.7900	1.7900	5.8947	5.8947
H11	3.3517	4.5166	2.1701	5.7366	1.1030	4.7199	4.7199	2.5167	2.5167	6.6448		5.8947	5.8947	1.7900	1.7900
H12	2.6546	2.1697	3.9896	1.1025	4.8843	3.0978	2.5306	4.5811	4.2183	1.7900	5.8947		1.7860	5.0719	4.7471
H13	2.6546	2.1697	3.9896	1.1025	4.8843	2.5306	3.0978	4.2183	4.5811	1.7900	5.8947	1.7860		4.7471	5.0719
H14	2.6546	3.9896	2.1697	4.8843	1.1025	4.2183	4.5811	2.5306	3.0978	5.8947	1.7900	5.0719	4.7471		1.7860
H15	2.6546	3.9896	2.1697	4.8843	1.1025	4.5811	4.2183	3.0978	2.5306	5.8947	1.7900	4.7471	5.0719	1.7860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.433	O1	C2	H6	110.284
O1	C2	H7	110.284	O1	C3	C5	108.433
O1	C3	H8	110.284	O1	C3	H9	110.284
C2	O1	C3	112.266	C2	C4	H10	110.525
C2	C4	H12	110.523	C2	C4	H13	110.523
C3	C5	H11	110.525	C3	C5	H14	110.523
C3	C5	H15	110.523	C4	C2	H6	110.570
C4	C2	H7	110.570	C5	C3	H8	110.570
C5	C3	H9	110.570	H6	C2	H7	106.705
H8	C3	H9	106.705	H10	C4	H12	108.506
H10	C4	H13	108.506	H11	C5	H14	108.506
H11	C5	H15	108.506	H12	C4	H13	108.182
H14	C5	H15	108.182

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

using model chemistry: PBEPBEultrafine/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	-0.417
2	C	-0.050
3	C	-0.050
4	C	-0.497
5	C	-0.497
6	H	0.128
7	H	0.128
8	H	0.128
9	H	0.128
10	H	0.156
11	H	0.156
12	H	0.171
13	H	0.171
14	H	0.171
15	H	0.171

	x	y	z
x	6.575	0.000	0.000
y	0.000	8.963	0.001
z	0.000	0.001	6.820

<r²>	177.782
(<r²>)^1/2	13.333

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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