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	hartrees
Energy at 0K	-233.511137
Energy at 298.15K	-233.522288
Nuclear repulsion energy	188.110718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3152	3019	37.98
2	A₁	3066	2936	5.18
3	A₁	2996	2869	104.44
4	A₁	1575	1508	1.50
5	A₁	1546	1480	6.62
6	A₁	1468	1405	6.68
7	A₁	1450	1389	1.75
8	A₁	1188	1138	11.78
9	A₁	1071	1026	9.11
10	A₁	843	807	6.60
11	A₁	436	418	0.07
12	A₁	189	181	1.02
13	A₂	3163	3029	0.00
14	A₂	3029	2901	0.00
15	A₂	1527	1462	0.00
16	A₂	1308	1253	0.00
17	A₂	1181	1131	0.00
18	A₂	847	811	0.00
19	A₂	245	235	0.00
20	A₂	99	95	0.00
21	B₁	3163	3030	59.46
22	B₁	3028	2900	132.83
23	B₁	1527	1462	15.25
24	B₁	1313	1257	0.45
25	B₁	1212	1160	15.72
26	B₁	858	822	3.24
27	B₁	248	237	2.07
28	B₁	100	96	6.81
29	B₂	3152	3019	19.66
30	B₂	3066	2936	34.31
31	B₂	2987	2860	7.63
32	B₂	1558	1492	2.39
33	B₂	1543	1478	8.36
34	B₂	1456	1394	20.76
35	B₂	1396	1337	49.81
36	B₂	1142	1094	104.21
37	B₂	1118	1071	70.15
38	B₂	967	926	11.59
39	B₂	428	410	4.93

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.256
C2	0.000	1.212	-0.534
C3	0.000	-1.212	-0.534
C4	0.000	2.386	0.425
C5	0.000	-2.386	0.425
H6	0.889	1.234	-1.186
H7	-0.889	1.234	-1.186
H8	0.889	-1.234	-1.186
H9	-0.889	-1.234	-1.186
H10	0.000	3.335	-0.124
H11	0.000	-3.335	-0.124
H12	-0.886	2.353	1.066
H13	0.886	2.353	1.066
H14	0.886	-2.353	1.066
H15	-0.886	-2.353	1.066

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4472	1.4472	2.3921	2.3921	2.0962	2.0962	2.0962	2.0962	3.3561	3.3561	2.6419	2.6419	2.6419	2.6419
C2	1.4472		2.4244	1.5160	3.7240	1.1025	1.1025	2.6835	2.6835	2.1616	4.5652	2.1560	2.1560	4.0074	4.0074
C3	1.4472	2.4244		3.7240	1.5160	2.6835	2.6835	1.1025	1.1025	4.5652	2.1616	4.0074	4.0074	2.1560	2.1560
C4	2.3921	1.5160	3.7240		4.7723	2.1707	2.1707	4.0613	4.0613	1.0957	5.7470	1.0942	1.0942	4.8641	4.8641
C5	2.3921	3.7240	1.5160	4.7723		4.0613	4.0613	2.1707	2.1707	5.7470	1.0957	4.8641	4.8641	1.0942	1.0942
H6	2.0962	1.1025	2.6835	2.1707	4.0613		1.7779	2.4689	3.0424	2.5157	4.7743	3.0781	2.5147	4.2361	4.5929
H7	2.0962	1.1025	2.6835	2.1707	4.0613	1.7779		3.0424	2.4689	2.5157	4.7743	2.5147	3.0781	4.5929	4.2361
H8	2.0962	2.6835	1.1025	4.0613	2.1707	2.4689	3.0424		1.7779	4.7743	2.5157	4.5929	4.2361	2.5147	3.0781
H9	2.0962	2.6835	1.1025	4.0613	2.1707	3.0424	2.4689	1.7779		4.7743	2.5157	4.2361	4.5929	3.0781	2.5147
H10	3.3561	2.1616	4.5652	1.0957	5.7470	2.5157	2.5157	4.7743	4.7743		6.6691	1.7786	1.7786	5.8782	5.8782
H11	3.3561	4.5652	2.1616	5.7470	1.0957	4.7743	4.7743	2.5157	2.5157	6.6691		5.8782	5.8782	1.7786	1.7786
H12	2.6419	2.1560	4.0074	1.0942	4.8641	3.0781	2.5147	4.5929	4.2361	1.7786	5.8782		1.7723	5.0294	4.7068
H13	2.6419	2.1560	4.0074	1.0942	4.8641	2.5147	3.0781	4.2361	4.5929	1.7786	5.8782	1.7723		4.7068	5.0294
H14	2.6419	4.0074	2.1560	4.8641	1.0942	4.2361	4.5929	2.5147	3.0781	5.8782	1.7786	5.0294	4.7068		1.7723
H15	2.6419	4.0074	2.1560	4.8641	1.0942	4.5929	4.2361	3.0781	2.5147	5.8782	1.7786	4.7068	5.0294	1.7723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	107.644	O1	C2	H6	109.865
O1	C2	H7	109.865	O1	C3	C5	107.644
O1	C3	H8	109.865	O1	C3	H9	109.865
C2	O1	C3	113.786	C2	C4	H10	110.697
C2	C4	H12	110.333	C2	C4	H13	110.333
C3	C5	H11	110.697	C3	C5	H14	110.333
C3	C5	H15	110.333	C4	C2	H6	111.005
C4	C2	H7	111.005	C5	C3	H8	111.005
C5	C3	H9	111.005	H6	C2	H7	107.466
H8	C3	H9	107.466	H10	C4	H12	108.623
H10	C4	H13	108.623	H11	C5	H14	108.623
H11	C5	H15	108.623	H12	C4	H13	108.163
H14	C5	H15	108.163

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

using model chemistry: B3PW91/6-31G

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	-0.532
2	C	-0.048
3	C	-0.048
4	C	-0.482
5	C	-0.482
6	H	0.143
7	H	0.143
8	H	0.143
9	H	0.143
10	H	0.154
11	H	0.154
12	H	0.177
13	H	0.177
14	H	0.177
15	H	0.177

<r²>	178.919
(<r²>)^1/2	13.376

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

using model chemistry: B3PW91/6-31G

States and conformations

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