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	hartrees
Energy at 0K	-231.402073
Energy at 298.15K	-231.413200
HF Energy	-230.858032
Nuclear repulsion energy	186.518915

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3108	3012	29.63
2	A₁	3041	2947	3.20
3	A₁	2981	2889	70.64
4	A₁	1616	1566	0.00
5	A₁	1581	1533	5.39
6	A₁	1473	1427	6.19
7	A₁	1471	1425	1.12
8	A₁	1183	1147	9.31
9	A₁	1013	982	2.65
10	A₁	834	808	6.67
11	A₁	429	415	0.26
12	A₁	183	177	0.70
13	A₂	3118	3022	0.00
14	A₂	3001	2909	0.00
15	A₂	1564	1516	0.00
16	A₂	1330	1289	0.00
17	A₂	1191	1155	0.00
18	A₂	860	833	0.00
19	A₂	244	237	0.00
20	A₂	105	101	0.00
21	B₁	3118	3022	50.89
22	B₁	3002	2910	105.99
23	B₁	1564	1516	8.41
24	B₁	1329	1288	0.00
25	B₁	1225	1187	11.86
26	B₁	870	843	1.24
27	B₁	250	243	2.35
28	B₁	95	92	5.60
29	B₂	3108	3012	19.21
30	B₂	3040	2947	24.38
31	B₂	2974	2883	4.61
32	B₂	1600	1551	5.74
33	B₂	1580	1531	4.68
34	B₂	1471	1426	8.82
35	B₂	1405	1362	71.68
36	B₂	1145	1109	58.96
37	B₂	1087	1053	66.30
38	B₂	932	903	1.87
39	B₂	407	394	6.15

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.266
C2	0.000	1.219	-0.555
C3	0.000	-1.219	-0.555
C4	0.000	2.398	0.437
C5	0.000	-2.398	0.437
H6	0.893	1.251	-1.203
H7	-0.893	1.251	-1.203
H8	0.893	-1.251	-1.203
H9	-0.893	-1.251	-1.203
H10	0.000	3.358	-0.099
H11	0.000	-3.358	-0.099
H12	-0.891	2.337	1.074
H13	0.891	2.337	1.074
H14	0.891	-2.337	1.074
H15	-0.891	-2.337	1.074

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4692	1.4692	2.4043	2.4043	2.1264	2.1264	2.1264	2.1264	3.3776	3.3776	2.6284	2.6284	2.6284	2.6284
C2	1.4692		2.4372	1.5409	3.7502	1.1043	1.1043	2.7050	2.7050	2.1873	4.5991	2.1674	2.1674	4.0111	4.0111
C3	1.4692	2.4372		3.7502	1.5409	2.7050	2.7050	1.1043	1.1043	4.5991	2.1873	4.0111	4.0111	2.1674	2.1674
C4	2.4043	1.5409	3.7502		4.7964	2.1918	2.1918	4.0993	4.0993	1.0990	5.7809	1.0973	1.0973	4.8602	4.8602
C5	2.4043	3.7502	1.5409	4.7964		4.0993	4.0993	2.1918	2.1918	5.7809	1.0990	4.8602	4.8602	1.0973	1.0973
H6	2.1264	1.1043	2.7050	2.1918	4.0993		1.7862	2.5019	3.0741	2.5411	4.8228	3.0903	2.5231	4.2496	4.6090
H7	2.1264	1.1043	2.7050	2.1918	4.0993	1.7862		3.0741	2.5019	2.5411	4.8228	2.5231	3.0903	4.6090	4.2496
H8	2.1264	2.7050	1.1043	4.0993	2.1918	2.5019	3.0741		1.7862	4.8228	2.5411	4.6090	4.2496	2.5231	3.0903
H9	2.1264	2.7050	1.1043	4.0993	2.1918	3.0741	2.5019	1.7862		4.8228	2.5411	4.2496	4.6090	3.0903	2.5231
H10	3.3776	2.1873	4.5991	1.0990	5.7809	2.5411	2.5411	4.8228	4.8228		6.7158	1.7922	1.7922	5.8822	5.8822
H11	3.3776	4.5991	2.1873	5.7809	1.0990	4.8228	4.8228	2.5411	2.5411	6.7158		5.8822	5.8822	1.7922	1.7922
H12	2.6284	2.1674	4.0111	1.0973	4.8602	3.0903	2.5231	4.6090	4.2496	1.7922	5.8822		1.7825	5.0021	4.6738
H13	2.6284	2.1674	4.0111	1.0973	4.8602	2.5231	3.0903	4.2496	4.6090	1.7922	5.8822	1.7825		4.6738	5.0021
H14	2.6284	4.0111	2.1674	4.8602	1.0973	4.2496	4.6090	2.5231	3.0903	5.8822	1.7922	5.0021	4.6738		1.7825
H15	2.6284	4.0111	2.1674	4.8602	1.0973	4.6090	4.2496	3.0903	2.5231	5.8822	1.7922	4.6738	5.0021	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	105.993	O1	C2	H6	110.637
O1	C2	H7	110.637	O1	C3	C5	105.993
O1	C3	H8	110.637	O1	C3	H9	110.637
C2	O1	C3	112.082	C2	C4	H10	110.791
C2	C4	H12	109.322	C2	C4	H13	109.322
C3	C5	H11	110.791	C3	C5	H14	109.322
C3	C5	H15	109.322	C4	C2	H6	110.828
C4	C2	H7	110.828	C5	C3	H8	110.828
C5	C3	H9	110.828	H6	C2	H7	107.943
H8	C3	H9	107.943	H10	C4	H12	109.376
H10	C4	H13	109.376	H11	C5	H14	109.376
H11	C5	H15	109.376	H12	C4	H13	108.618
H14	C5	H15	108.618

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

using model chemistry: QCISD/3-21G

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

using model chemistry: QCISD/3-21G

States and conformations

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