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	hartrees
Energy at 0K	-232.227254
Energy at 298.15K	-232.238756
HF Energy	-232.227254
Nuclear repulsion energy	191.103033

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3235	2939	68.63
2	A₁	3173	2883	2.00
3	A₁	3131	2845	123.72
4	A₁	1666	1514	0.94
5	A₁	1621	1473	5.88
6	A₁	1592	1446	1.99
7	A₁	1528	1388	0.37
8	A₁	1291	1173	31.72
9	A₁	1132	1029	11.28
10	A₁	936	851	10.78
11	A₁	468	425	0.13
12	A₁	206	187	0.62
13	A₂	3246	2949	0.00
14	A₂	3143	2856	0.00
15	A₂	1601	1455	0.00
16	A₂	1410	1282	0.00
17	A₂	1277	1160	0.00
18	A₂	876	796	0.00
19	A₂	270	245	0.00
20	A₂	99	90	0.00
21	B₁	3247	2950	102.01
22	B₁	3148	2860	128.63
23	B₁	1602	1455	9.38
24	B₁	1423	1293	6.88
25	B₁	1306	1187	12.76
26	B₁	892	811	0.00
27	B₁	279	254	2.14
28	B₁	117	106	5.79
29	B₂	3234	2938	29.64
30	B₂	3172	2882	50.93
31	B₂	3116	2831	4.99
32	B₂	1646	1496	4.98
33	B₂	1618	1470	0.02
34	B₂	1550	1408	62.48
35	B₂	1512	1374	38.05
36	B₂	1281	1164	248.34
37	B₂	1186	1077	5.95
38	B₂	1007	915	4.58
39	B₂	465	422	2.64

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.237
C2	0.000	1.175	-0.517
C3	0.000	-1.175	-0.517
C4	0.000	2.364	0.420
C5	0.000	-2.364	0.420
H6	0.878	1.204	-1.162
H7	-0.878	1.204	-1.162
H8	0.878	-1.204	-1.162
H9	-0.878	-1.204	-1.162
H10	0.000	3.289	-0.147
H11	0.000	-3.289	-0.147
H12	-0.878	2.348	1.054
H13	0.878	2.348	1.054
H14	0.878	-2.348	1.054
H15	-0.878	-2.348	1.054

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.3956	1.3956	2.3707	2.3707	2.0436	2.0436	2.0436	2.0436	3.3111	3.3111	2.6367	2.6367	2.6367	2.6367
C2	1.3956		2.3495	1.5136	3.6603	1.0898	1.0898	2.6162	2.6162	2.1461	4.4788	2.1483	2.1483	3.9557	3.9557
C3	1.3956	2.3495		3.6603	1.5136	2.6162	2.6162	1.0898	1.0898	4.4788	2.1461	3.9557	3.9557	2.1483	2.1483
C4	2.3707	1.5136	3.6603		4.7273	2.1490	2.1490	4.0000	4.0000	1.0851	5.6808	1.0835	1.0835	4.8345	4.8345
C5	2.3707	3.6603	1.5136	4.7273		4.0000	4.0000	2.1490	2.1490	5.6808	1.0851	4.8345	4.8345	1.0835	1.0835
H6	2.0436	1.0898	2.6162	2.1490	4.0000		1.7557	2.4076	2.9798	2.4794	4.6887	3.0503	2.4939	4.1863	4.5398
H7	2.0436	1.0898	2.6162	2.1490	4.0000	1.7557		2.9798	2.4076	2.4794	4.6887	2.4939	3.0503	4.5398	4.1863
H8	2.0436	2.6162	1.0898	4.0000	2.1490	2.4076	2.9798		1.7557	4.6887	2.4794	4.5398	4.1863	2.4939	3.0503
H9	2.0436	2.6162	1.0898	4.0000	2.1490	2.9798	2.4076	1.7557		4.6887	2.4794	4.1863	4.5398	3.0503	2.4939
H10	3.3111	2.1461	4.4788	1.0851	5.6808	2.4794	2.4794	4.6887	4.6887		6.5776	1.7606	1.7606	5.8298	5.8298
H11	3.3111	4.4788	2.1461	5.6808	1.0851	4.6887	4.6887	2.4794	2.4794	6.5776		5.8298	5.8298	1.7606	1.7606
H12	2.6367	2.1483	3.9557	1.0835	4.8345	3.0503	2.4939	4.5398	4.1863	1.7606	5.8298		1.7570	5.0137	4.6957
H13	2.6367	2.1483	3.9557	1.0835	4.8345	2.4939	3.0503	4.1863	4.5398	1.7606	5.8298	1.7570		4.6957	5.0137
H14	2.6367	3.9557	2.1483	4.8345	1.0835	4.1863	4.5398	2.4939	3.0503	5.8298	1.7606	5.0137	4.6957		1.7570
H15	2.6367	3.9557	2.1483	4.8345	1.0835	4.5398	4.1863	3.0503	2.4939	5.8298	1.7606	4.6957	5.0137	1.7570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	109.089	O1	C2	H6	110.004
O1	C2	H7	110.004	O1	C3	C5	109.089
O1	C3	H8	110.004	O1	C3	H9	110.004
C2	O1	C3	114.647	C2	C4	H10	110.258
C2	C4	H12	110.530	C2	C4	H13	110.530
C3	C5	H11	110.258	C3	C5	H14	110.530
C3	C5	H15	110.530	C4	C2	H6	110.210
C4	C2	H7	110.210	C5	C3	H8	110.210
C5	C3	H9	110.210	H6	C2	H7	107.312
H8	C3	H9	107.312	H10	C4	H12	108.557
H10	C4	H13	108.557	H11	C5	H14	108.557
H11	C5	H15	108.557	H12	C4	H13	108.345
H14	C5	H15	108.345

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

using model chemistry: HF/TZVP

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	-0.316
2	C	0.055
3	C	0.055
4	C	-0.227
5	C	-0.227
6	H	0.047
7	H	0.047
8	H	0.047
9	H	0.047
10	H	0.069
11	H	0.069
12	H	0.083
13	H	0.083
14	H	0.083
15	H	0.083

<r²>	175.238
(<r²>)^1/2	13.238

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

using model chemistry: HF/TZVP

States and conformations

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