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	hartrees
Energy at 0K	-43.844674
Energy at 298.15K	-43.855675
HF Energy	-43.361659
Nuclear repulsion energy	107.769502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3082	3008	54.74
2	A₁	2980	2908	1.32
3	A₁	2940	2869	129.60
4	A₁	1552	1514	0.64
5	A₁	1524	1487	6.76
6	A₁	1459	1423	5.66
7	A₁	1435	1400	0.28
8	A₁	1164	1136	5.80
9	A₁	1037	1012	9.65
10	A₁	805	786	10.56
11	A₁	416	406	0.18
12	A₁	180	175	0.90
13	A₂	3102	3027	0.00
14	A₂	2998	2926	0.00
15	A₂	1508	1471	0.00
16	A₂	1273	1243	0.00
17	A₂	1156	1128	0.00
18	A₂	820	800	0.00
19	A₂	238	232	0.00
20	A₂	70	68	0.00
21	B₁	3102	3028	87.57
22	B₁	2998	2926	125.91
23	B₁	1508	1472	11.74
24	B₁	1279	1249	0.21
25	B₁	1188	1159	14.59
26	B₁	832	812	0.38
27	B₁	243	237	2.12
28	B₁	93	91	7.88
29	B₂	3082	3008	28.15
30	B₂	2979	2907	57.10
31	B₂	2933	2863	4.20
32	B₂	1539	1502	0.78
33	B₂	1521	1485	3.92
34	B₂	1449	1414	16.39
35	B₂	1390	1356	59.83
36	B₂	1109	1082	13.31
37	B₂	1082	1056	132.33
38	B₂	932	910	20.70
39	B₂	411	402	4.45

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.273
C2	0.000	1.238	-0.550
C3	0.000	-1.238	-0.550
C4	0.000	2.433	0.431
C5	0.000	-2.433	0.431
H6	0.902	1.244	-1.195
H7	-0.902	1.244	-1.195
H8	0.902	-1.244	-1.195
H9	-0.902	-1.244	-1.195
H10	0.000	3.385	-0.129
H11	0.000	-3.385	-0.129
H12	-0.895	2.396	1.070
H13	0.895	2.396	1.070
H14	0.895	-2.396	1.070
H15	-0.895	-2.396	1.070

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4866	1.4866	2.4384	2.4384	2.1251	2.1251	2.1251	2.1251	3.4086	3.4086	2.6788	2.6788	2.6788	2.6788
C2	1.4866		2.4764	1.5457	3.8002	1.1087	1.1087	2.7189	2.7189	2.1873	4.6420	2.1830	2.1830	4.0781	4.0781
C3	1.4866	2.4764		3.8002	1.5457	2.7189	2.7189	1.1087	1.1087	4.6420	2.1873	4.0781	4.0781	2.1830	2.1830
C4	2.4384	1.5457	3.8002		4.8667	2.2065	2.2065	4.1208	4.1208	1.1040	5.8450	1.1009	1.1009	4.9527	4.9527
C5	2.4384	3.8002	1.5457	4.8667		4.1208	4.1208	2.2065	2.2065	5.8450	1.1040	4.9527	4.9527	1.1009	1.1009
H6	2.1251	1.1087	2.7189	2.2065	4.1208		1.8031	2.4889	3.0734	2.5552	4.8350	3.1121	2.5411	4.2874	4.6486
H7	2.1251	1.1087	2.7189	2.2065	4.1208	1.8031		3.0734	2.4889	2.5552	4.8350	2.5411	3.1121	4.6486	4.2874
H8	2.1251	2.7189	1.1087	4.1208	2.2065	2.4889	3.0734		1.8031	4.8350	2.5552	4.6486	4.2874	2.5411	3.1121
H9	2.1251	2.7189	1.1087	4.1208	2.2065	3.0734	2.4889	1.8031		4.8350	2.5552	4.2874	4.6486	3.1121	2.5411
H10	3.4086	2.1873	4.6420	1.1040	5.8450	2.5552	2.5552	4.8350	4.8350		6.7695	1.7942	1.7942	5.9711	5.9711
H11	3.4086	4.6420	2.1873	5.8450	1.1040	4.8350	4.8350	2.5552	2.5552	6.7695		5.9711	5.9711	1.7942	1.7942
H12	2.6788	2.1830	4.0781	1.1009	4.9527	3.1121	2.5411	4.6486	4.2874	1.7942	5.9711		1.7901	5.1147	4.7913
H13	2.6788	2.1830	4.0781	1.1009	4.9527	2.5411	3.1121	4.2874	4.6486	1.7942	5.9711	1.7901		4.7913	5.1147
H14	2.6788	4.0781	2.1830	4.9527	1.1009	4.2874	4.6486	2.5411	3.1121	5.9711	1.7942	5.1147	4.7913		1.7901
H15	2.6788	4.0781	2.1830	4.9527	1.1009	4.6486	4.2874	3.1121	2.5411	5.9711	1.7942	4.7913	5.1147	1.7901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	107.042	O1	C2	H6	109.072
O1	C2	H7	109.072	O1	C3	C5	107.042
O1	C3	H8	109.072	O1	C3	H9	109.072
C2	O1	C3	112.801	C2	C4	H10	110.154
C2	C4	H12	110.005	C2	C4	H13	110.005
C3	C5	H11	110.154	C3	C5	H14	110.005
C3	C5	H15	110.005	C4	C2	H6	111.392
C4	C2	H7	111.392	C5	C3	H8	111.392
C5	C3	H9	111.392	H6	C2	H7	108.812
H8	C3	H9	108.812	H10	C4	H12	108.929
H10	C4	H13	108.929	H11	C5	H14	108.929
H11	C5	H15	108.929	H12	C4	H13	108.785
H14	C5	H15	108.785

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

using model chemistry: MP2/CEP-121G

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: MP2/CEP-121G

States and conformations

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