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	hartrees
Energy at 0K	-233.576701
Energy at 298.15K	-233.587895
Nuclear repulsion energy	189.960671

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3148	3012	35.82
2	A₁	3069	2936	7.59
3	A₁	2982	2852	110.51
4	A₁	1566	1498	0.72
5	A₁	1528	1462	4.18
6	A₁	1472	1408	5.98
7	A₁	1420	1359	0.53
8	A₁	1197	1145	23.40
9	A₁	1076	1029	11.51
10	A₁	873	835	5.69
11	A₁	443	424	0.04
12	A₁	193	185	0.71
13	A₂	3153	3016	0.00
14	A₂	3003	2873	0.00
15	A₂	1509	1444	0.00
16	A₂	1306	1250	0.00
17	A₂	1182	1131	0.00
18	A₂	824	789	0.00
19	A₂	255	244	0.00
20	A₂	105	100	0.00
21	B₁	3153	3016	54.63
22	B₁	3000	2870	140.73
23	B₁	1510	1444	11.16
24	B₁	1313	1256	3.07
25	B₁	1215	1162	13.01
26	B₁	837	800	1.37
27	B₁	259	248	1.51
28	B₁	107	103	4.12
29	B₂	3148	3012	17.92
30	B₂	3068	2935	28.26
31	B₂	2969	2840	10.41
32	B₂	1544	1477	3.86
33	B₂	1525	1459	2.96
34	B₂	1436	1374	42.23
35	B₂	1395	1335	47.81
36	B₂	1195	1143	205.54
37	B₂	1111	1063	3.30
38	B₂	960	918	3.65
39	B₂	434	415	3.21

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.261
C2	0.000	1.175	-0.518
C3	0.000	-1.175	-0.518
C4	0.000	2.373	0.412
C5	0.000	-2.373	0.412
H6	0.887	1.197	-1.176
H7	-0.887	1.197	-1.176
H8	0.887	-1.197	-1.176
H9	-0.887	-1.197	-1.176
H10	0.000	3.305	-0.163
H11	0.000	-3.305	-0.163
H12	-0.887	2.360	1.053
H13	0.887	2.360	1.053
H14	0.887	-2.360	1.053
H15	-0.887	-2.360	1.053

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4102	1.4102	2.3774	2.3774	2.0705	2.0705	2.0705	2.0705	3.3325	3.3325	2.6422	2.6422	2.6422	2.6422
C2	1.4102		2.3508	1.5158	3.6678	1.1047	1.1047	2.6173	2.6173	2.1595	4.4949	2.1582	2.1582	3.9688	3.9688
C3	1.4102	2.3508		3.6678	1.5158	2.6173	2.6173	1.1047	1.1047	4.4949	2.1595	3.9688	3.9688	2.1582	2.1582
C4	2.3774	1.5158	3.6678		4.7454	2.1654	2.1654	4.0067	4.0067	1.0954	5.7071	1.0947	1.0947	4.8572	4.8572
C5	2.3774	3.6678	1.5158	4.7454		4.0067	4.0067	2.1654	2.1654	5.7071	1.0954	4.8572	4.8572	1.0947	1.0947
H6	2.0705	1.1047	2.6173	2.1654	4.0067		1.7737	2.3948	2.9801	2.5015	4.6999	3.0770	2.5144	4.1980	4.5573
H7	2.0705	1.1047	2.6173	2.1654	4.0067	1.7737		2.9801	2.3948	2.5015	4.6999	2.5144	3.0770	4.5573	4.1980
H8	2.0705	2.6173	1.1047	4.0067	2.1654	2.3948	2.9801		1.7737	4.6999	2.5015	4.5573	4.1980	2.5144	3.0770
H9	2.0705	2.6173	1.1047	4.0067	2.1654	2.9801	2.3948	1.7737		4.6999	2.5015	4.1980	4.5573	3.0770	2.5144
H10	3.3325	2.1595	4.4949	1.0954	5.7071	2.5015	2.5015	4.6999	4.6999		6.6109	1.7777	1.7777	5.8615	5.8615
H11	3.3325	4.4949	2.1595	5.7071	1.0954	4.6999	4.6999	2.5015	2.5015	6.6109		5.8615	5.8615	1.7777	1.7777
H12	2.6422	2.1582	3.9688	1.0947	4.8572	3.0770	2.5144	4.5573	4.1980	1.7777	5.8615		1.7735	5.0413	4.7190
H13	2.6422	2.1582	3.9688	1.0947	4.8572	2.5144	3.0770	4.1980	4.5573	1.7777	5.8615	1.7735		4.7190	5.0413
H14	2.6422	3.9688	2.1582	4.8572	1.0947	4.1980	4.5573	2.5144	3.0770	5.8615	1.7777	5.0413	4.7190		1.7735
H15	2.6422	3.9688	2.1582	4.8572	1.0947	4.5573	4.1980	3.0770	2.5144	5.8615	1.7777	4.7190	5.0413	1.7735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.632	O1	C2	H6	110.236
O1	C2	H7	110.236	O1	C3	C5	108.632
O1	C3	H8	110.236	O1	C3	H9	110.236
C2	O1	C3	112.915	C2	C4	H10	110.549
C2	C4	H12	110.490	C2	C4	H13	110.490
C3	C5	H11	110.549	C3	C5	H14	110.490
C3	C5	H15	110.490	C4	C2	H6	110.470
C4	C2	H7	110.470	C5	C3	H8	110.470
C5	C3	H9	110.470	H6	C2	H7	106.794
H8	C3	H9	106.794	H10	C4	H12	108.522
H10	C4	H13	108.522	H11	C5	H14	108.522
H11	C5	H15	108.522	H12	C4	H13	108.196
H14	C5	H15	108.196

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	ESP
1	O	-0.465	-0.411
2	C	-0.050	0.306
3	C	-0.050	0.306
4	C	-0.522	-0.341
5	C	-0.522	-0.341
6	H	0.139	-0.020
7	H	0.139	-0.022
8	H	0.139	-0.020
9	H	0.139	-0.022
10	H	0.165	0.084
11	H	0.165	0.084
12	H	0.181	0.100
13	H	0.181	0.099
14	H	0.181	0.099
15	H	0.181	0.100

	x	y	z	Total
	0.000	0.000	-1.035	1.035
CHELPG
AIM
ESP	0.008	0.000	-1.019	1.019

<r²>	176.020
(<r²>)^1/2	13.267

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)