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	hartrees
Energy at 0K	-233.353293
Energy at 298.15K	-233.364320
HF Energy	-233.353293
Nuclear repulsion energy	188.657813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3071	3053	26.72
2	A₁	2982	2965	10.08
3	A₁	2874	2857	116.25
4	A₁	1462	1454	1.16
5	A₁	1427	1419	3.08
6	A₁	1387	1379	6.22
7	A₁	1330	1322	0.12
8	A₁	1138	1131	17.52
9	A₁	1041	1035	14.32
10	A₁	832	827	6.17
11	A₁	431	428	0.03
12	A₁	187	185	0.46
13	A₂	3068	3051	0.00
14	A₂	2895	2878	0.00
15	A₂	1403	1395	0.00
16	A₂	1234	1227	0.00
17	A₂	1115	1109	0.00
18	A₂	791	787	0.00
19	A₂	245	244	0.00
20	A₂	106	105	0.00
21	B₁	3069	3051	43.91
22	B₁	2889	2872	148.34
23	B₁	1403	1395	12.15
24	B₁	1236	1229	3.19
25	B₁	1148	1142	12.61
26	B₁	800	796	1.55
27	B₁	249	247	1.38
28	B₁	103	102	2.92
29	B₂	3071	3053	13.71
30	B₂	2982	2964	26.84
31	B₂	2860	2844	13.37
32	B₂	1440	1431	2.51
33	B₂	1424	1415	1.72
34	B₂	1345	1337	39.86
35	B₂	1309	1302	39.63
36	B₂	1133	1126	219.53
37	B₂	1064	1058	0.80
38	B₂	926	921	6.44
39	B₂	418	416	3.00

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.271
C2	0.000	1.181	-0.520
C3	0.000	-1.181	-0.520
C4	0.000	2.383	0.410
C5	0.000	-2.383	0.410
H6	0.897	1.200	-1.190
H7	-0.897	1.200	-1.190
H8	0.897	-1.200	-1.190
H9	-0.897	-1.200	-1.190
H10	0.000	3.326	-0.171
H11	0.000	-3.326	-0.171
H12	-0.897	2.372	1.062
H13	0.897	2.372	1.062
H14	0.897	-2.372	1.062
H15	-0.897	-2.372	1.062

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4210	1.4210	2.3870	2.3870	2.0925	2.0925	2.0925	2.0925	3.3556	3.3556	2.6561	2.6561	2.6561	2.6561
C2	1.4210		2.3622	1.5196	3.6833	1.1203	1.1203	2.6314	2.6314	2.1735	4.5210	2.1729	2.1729	3.9907	3.9907
C3	1.4210	2.3622		3.6833	1.5196	2.6314	2.6314	1.1203	1.1203	4.5210	2.1735	3.9907	3.9907	2.1729	2.1729
C4	2.3870	1.5196	3.6833		4.7658	2.1831	2.1831	4.0254	4.0254	1.1081	5.7388	1.1084	1.1084	4.8820	4.8820
C5	2.3870	3.6833	1.5196	4.7658		4.0254	4.0254	2.1831	2.1831	5.7388	1.1081	4.8820	4.8820	1.1084	1.1084
H6	2.0925	1.1203	2.6314	2.1831	4.0254		1.7947	2.4000	2.9968	2.5231	4.7258	3.1083	2.5383	4.2222	4.5875
H7	2.0925	1.1203	2.6314	2.1831	4.0254	1.7947		2.9968	2.4000	2.5231	4.7258	2.5383	3.1083	4.5875	4.2222
H8	2.0925	2.6314	1.1203	4.0254	2.1831	2.4000	2.9968		1.7947	4.7258	2.5231	4.5875	4.2222	2.5383	3.1083
H9	2.0925	2.6314	1.1203	4.0254	2.1831	2.9968	2.4000	1.7947		4.7258	2.5231	4.2222	4.5875	3.1083	2.5383
H10	3.3556	2.1735	4.5210	1.1081	5.7388	2.5231	2.5231	4.7258	4.7258		6.6529	1.7985	1.7985	5.8983	5.8983
H11	3.3556	4.5210	2.1735	5.7388	1.1081	4.7258	4.7258	2.5231	2.5231	6.6529		5.8983	5.8983	1.7985	1.7985
H12	2.6561	2.1729	3.9907	1.1084	4.8820	3.1083	2.5383	4.5875	4.2222	1.7985	5.8983		1.7935	5.0710	4.7432
H13	2.6561	2.1729	3.9907	1.1084	4.8820	2.5383	3.1083	4.2222	4.5875	1.7985	5.8983	1.7935		4.7432	5.0710
H14	2.6561	3.9907	2.1729	4.8820	1.1084	4.2222	4.5875	2.5383	3.1083	5.8983	1.7985	5.0710	4.7432		1.7935
H15	2.6561	3.9907	2.1729	4.8820	1.1084	4.5875	4.2222	3.1083	2.5383	5.8983	1.7985	4.7432	5.0710	1.7935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.489	O1	C2	H6	110.291
O1	C2	H7	110.291	O1	C3	C5	108.489
O1	C3	H8	110.291	O1	C3	H9	110.291
C2	O1	C3	112.442	C2	C4	H10	110.643
C2	C4	H12	110.581	C2	C4	H13	110.581
C3	C5	H11	110.643	C3	C5	H14	110.581
C3	C5	H15	110.581	C4	C2	H6	110.665
C4	C2	H7	110.665	C5	C3	H8	110.665
C5	C3	H9	110.665	H6	C2	H7	106.443
H8	C3	H9	106.443	H10	C4	H12	108.468
H10	C4	H13	108.468	H11	C5	H14	108.468
H11	C5	H15	108.468	H12	C4	H13	108.014
H14	C5	H15	108.014

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

using model chemistry: PBEPBE/cc-pVDZ

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	-0.282
2	C	0.069
3	C	0.069
4	C	-0.060
5	C	-0.060
6	H	0.009
7	H	0.009
8	H	0.009
9	H	0.009
10	H	0.030
11	H	0.030
12	H	0.042
13	H	0.042
14	H	0.042
15	H	0.042

<r²>	178.110
(<r²>)^1/2	13.346

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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