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	hartrees
Energy at 0K	-233.561400
Energy at 298.15K	-233.572403
HF Energy	-233.561400
Nuclear repulsion energy	187.387529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3036	3020	44.82
2	A₁	2971	2955	7.74
3	A₁	2887	2871	133.64
4	A₁	1495	1487	1.04
5	A₁	1469	1461	3.81
6	A₁	1402	1395	5.73
7	A₁	1367	1360	0.18
8	A₁	1133	1127	16.09
9	A₁	1005	1000	12.37
10	A₁	818	814	10.42
11	A₁	422	420	0.00
12	A₁	188	187	0.86
13	A₂	3044	3028	0.00
14	A₂	2905	2889	0.00
15	A₂	1452	1444	0.00
16	A₂	1251	1245	0.00
17	A₂	1132	1126	0.00
18	A₂	799	795	0.00
19	A₂	241	240	0.00
20	A₂	103	103	0.00
21	B₁	3045	3028	65.32
22	B₁	2902	2886	140.51
23	B₁	1452	1444	13.64
24	B₁	1258	1252	3.70
25	B₁	1160	1154	12.08
26	B₁	809	805	0.57
27	B₁	243	242	1.29
28	B₁	104	104	5.17
29	B₂	3036	3020	17.56
30	B₂	2970	2954	41.75
31	B₂	2874	2859	14.20
32	B₂	1478	1471	1.03
33	B₂	1465	1457	6.18
34	B₂	1377	1369	21.38
35	B₂	1339	1331	47.24
36	B₂	1084	1079	141.58
37	B₂	1052	1047	75.80
38	B₂	909	905	9.58
39	B₂	422	420	2.41

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.269
C2	0.000	1.201	-0.525
C3	0.000	-1.201	-0.525
C4	0.000	2.409	0.415
C5	0.000	-2.409	0.415
H6	0.895	1.216	-1.183
H7	-0.895	1.216	-1.183
H8	0.895	-1.216	-1.183
H9	-0.895	-1.216	-1.183
H10	0.000	3.344	-0.168
H11	0.000	-3.344	-0.168
H12	-0.893	2.400	1.060
H13	0.893	2.400	1.060
H14	0.893	-2.400	1.060
H15	-0.893	-2.400	1.060

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4399	1.4399	2.4133	2.4133	2.0945	2.0945	2.0945	2.0945	3.3728	3.3728	2.6806	2.6806	2.6806	2.6806
C2	1.4399		2.4027	1.5305	3.7307	1.1109	1.1109	2.6606	2.6606	2.1726	4.5597	2.1791	2.1791	4.0352	4.0352
C3	1.4399	2.4027		3.7307	1.5305	2.6606	2.6606	1.1109	1.1109	4.5597	2.1726	4.0352	4.0352	2.1791	2.1791
C4	2.4133	1.5305	3.7307		4.8177	2.1857	2.1857	4.0616	4.0616	1.1026	5.7828	1.1015	1.1015	4.9337	4.9337
C5	2.4133	3.7307	1.5305	4.8177		4.0616	4.0616	2.1857	2.1857	5.7828	1.1026	4.9337	4.9337	1.1015	1.1015
H6	2.0945	1.1109	2.6606	2.1857	4.0616		1.7907	2.4325	3.0205	2.5218	4.7571	3.1033	2.5362	4.2556	4.6160
H7	2.0945	1.1109	2.6606	2.1857	4.0616	1.7907		3.0205	2.4325	2.5218	4.7571	2.5362	3.1033	4.6160	4.2556
H8	2.0945	2.6606	1.1109	4.0616	2.1857	2.4325	3.0205		1.7907	4.7571	2.5218	4.6160	4.2556	2.5362	3.1033
H9	2.0945	2.6606	1.1109	4.0616	2.1857	3.0205	2.4325	1.7907		4.7571	2.5218	4.2556	4.6160	3.1033	2.5362
H10	3.3728	2.1726	4.5597	1.1026	5.7828	2.5218	2.5218	4.7571	4.7571		6.6888	1.7883	1.7883	5.9421	5.9421
H11	3.3728	4.5597	2.1726	5.7828	1.1026	4.7571	4.7571	2.5218	2.5218	6.6888		5.9421	5.9421	1.7883	1.7883
H12	2.6806	2.1791	4.0352	1.1015	4.9337	3.1033	2.5362	4.6160	4.2556	1.7883	5.9421		1.7858	5.1220	4.8007
H13	2.6806	2.1791	4.0352	1.1015	4.9337	2.5362	3.1033	4.2556	4.6160	1.7883	5.9421	1.7858		4.8007	5.1220
H14	2.6806	4.0352	2.1791	4.9337	1.1015	4.2556	4.6160	2.5362	3.1033	5.9421	1.7883	5.1220	4.8007		1.7858
H15	2.6806	4.0352	2.1791	4.9337	1.1015	4.6160	4.2556	3.1033	2.5362	5.9421	1.7883	4.8007	5.1220	1.7858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.631	O1	C2	H6	109.724
O1	C2	H7	109.724	O1	C3	C5	108.631
O1	C3	H8	109.724	O1	C3	H9	109.724
C2	O1	C3	113.085	C2	C4	H10	110.136
C2	C4	H12	110.713	C2	C4	H13	110.713
C3	C5	H11	110.136	C3	C5	H14	110.713
C3	C5	H15	110.713	C4	C2	H6	110.673
C4	C2	H7	110.673	C5	C3	H8	110.673
C5	C3	H9	110.673	H6	C2	H7	107.408
H8	C3	H9	107.408	H10	C4	H12	108.448
H10	C4	H13	108.448	H11	C5	H14	108.448
H11	C5	H15	108.448	H12	C4	H13	108.309
H14	C5	H15	108.309

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

using model chemistry: BLYP/6-31+G**

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	-0.320
2	C	0.082
3	C	0.082
4	C	-0.610
5	C	-0.610
6	H	0.116
7	H	0.116
8	H	0.116
9	H	0.116
10	H	0.139
11	H	0.139
12	H	0.159
13	H	0.159
14	H	0.159
15	H	0.159

<r²>	181.570
(<r²>)^1/2	13.475

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

using model chemistry: BLYP/6-31+G**

States and conformations

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