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	hartrees
Energy at 0K	-232.081655
Energy at 298.15K	-232.093020
HF Energy	-232.081655
Nuclear repulsion energy	188.744114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3289	2961	84.80
2	A₁	3209	2889	2.67
3	A₁	3187	2869	152.71
4	A₁	1682	1515	1.73
5	A₁	1651	1486	8.80
6	A₁	1588	1430	2.72
7	A₁	1562	1406	3.04
8	A₁	1278	1151	20.50
9	A₁	1138	1025	13.24
10	A₁	909	819	10.64
11	A₁	453	408	0.32
12	A₁	195	176	1.38
13	A₂	3307	2978	0.00
14	A₂	3219	2899	0.00
15	A₂	1631	1469	0.00
16	A₂	1411	1271	0.00
17	A₂	1278	1151	0.00
18	A₂	899	809	0.00
19	A₂	256	231	0.00
20	A₂	92	83	0.00
21	B₁	3308	2979	135.65
22	B₁	3225	2903	138.83
23	B₁	1632	1470	13.73
24	B₁	1420	1278	2.34
25	B₁	1304	1175	20.94
26	B₁	912	821	1.61
27	B₁	264	238	3.35
28	B₁	107	96	10.68
29	B₂	3288	2960	44.54
30	B₂	3206	2887	88.30
31	B₂	3177	2860	1.75
32	B₂	1669	1503	4.77
33	B₂	1649	1485	2.91
34	B₂	1568	1412	25.42
35	B₂	1521	1370	58.97
36	B₂	1250	1125	217.29
37	B₂	1208	1088	10.43
38	B₂	1025	923	9.53
39	B₂	451	406	5.10

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.215
C2	0.000	1.221	-0.539
C3	0.000	-1.221	-0.539
C4	0.000	2.382	0.443
C5	0.000	-2.382	0.443
H6	0.880	1.254	-1.178
H7	-0.880	1.254	-1.178
H8	0.880	-1.254	-1.178
H9	-0.880	-1.254	-1.178
H10	0.000	3.330	-0.086
H11	0.000	-3.330	-0.086
H12	-0.877	2.338	1.076
H13	0.877	2.338	1.076
H14	0.877	-2.338	1.076
H15	-0.877	-2.338	1.076

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4350	1.4350	2.3933	2.3933	2.0706	2.0706	2.0706	2.0706	3.3439	3.3439	2.6413	2.6413	2.6413	2.6413
C2	1.4350		2.4418	1.5210	3.7347	1.0877	1.0877	2.7034	2.7034	2.1576	4.5738	2.1508	2.1508	4.0054	4.0054
C3	1.4350	2.4418		3.7347	1.5210	2.7034	2.7034	1.0877	1.0877	4.5738	2.1576	4.0054	4.0054	2.1508	2.1508
C4	2.3933	1.5210	3.7347		4.7647	2.1621	2.1621	4.0775	4.0775	1.0855	5.7372	1.0828	1.0828	4.8426	4.8426
C5	2.3933	3.7347	1.5210	4.7647		4.0775	4.0775	2.1621	2.1621	5.7372	1.0855	4.8426	4.8426	1.0828	1.0828
H6	2.0706	1.0877	2.7034	2.1621	4.0775		1.7591	2.5083	3.0637	2.5055	4.7942	3.0565	2.5011	4.2407	4.5902
H7	2.0706	1.0877	2.7034	2.1621	4.0775	1.7591		3.0637	2.5083	2.5055	4.7942	2.5011	3.0565	4.5902	4.2407
H8	2.0706	2.7034	1.0877	4.0775	2.1621	2.5083	3.0637		1.7591	4.7942	2.5055	4.5902	4.2407	2.5011	3.0565
H9	2.0706	2.7034	1.0877	4.0775	2.1621	3.0637	2.5083	1.7591		4.7942	2.5055	4.2407	4.5902	3.0565	2.5011
H10	3.3439	2.1576	4.5738	1.0855	5.7372	2.5055	2.5055	4.7942	4.7942		6.6607	1.7621	1.7621	5.8522	5.8522
H11	3.3439	4.5738	2.1576	5.7372	1.0855	4.7942	4.7942	2.5055	2.5055	6.6607		5.8522	5.8522	1.7621	1.7621
H12	2.6413	2.1508	4.0054	1.0828	4.8426	3.0565	2.5011	4.5902	4.2407	1.7621	5.8522		1.7545	4.9940	4.6756
H13	2.6413	2.1508	4.0054	1.0828	4.8426	2.5011	3.0565	4.2407	4.5902	1.7621	5.8522	1.7545		4.6756	4.9940
H14	2.6413	4.0054	2.1508	4.8426	1.0828	4.2407	4.5902	2.5011	3.0565	5.8522	1.7621	4.9940	4.6756		1.7545
H15	2.6413	4.0054	2.1508	4.8426	1.0828	4.5902	4.2407	3.0565	2.5011	5.8522	1.7621	4.6756	4.9940	1.7545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.083	O1	C2	H6	109.557
O1	C2	H7	109.557	O1	C3	C5	108.083
O1	C3	H8	109.557	O1	C3	H9	109.557
C2	O1	C3	116.598	C2	C4	H10	110.629
C2	C4	H12	110.249	C2	C4	H13	110.249
C3	C5	H11	110.629	C3	C5	H14	110.249
C3	C5	H15	110.249	C4	C2	H6	110.855
C4	C2	H7	110.855	C5	C3	H8	110.855
C5	C3	H9	110.855	H6	C2	H7	107.925
H8	C3	H9	107.925	H10	C4	H12	108.711
H10	C4	H13	108.711	H11	C5	H14	108.711
H11	C5	H15	108.711	H12	C4	H13	108.232
H14	C5	H15	108.232

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

using model chemistry: HF/SDD

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	-0.515
2	C	-0.025
3	C	-0.025
4	C	-0.561
5	C	-0.561
6	H	0.152
7	H	0.152
8	H	0.152
9	H	0.152
10	H	0.159
11	H	0.159
12	H	0.190
13	H	0.190
14	H	0.190
15	H	0.190

<r²>	178.999
(<r²>)^1/2	13.379

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

using model chemistry: HF/SDD

States and conformations

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