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	hartrees
Energy at 0K	-229.300980
Energy at 298.15K	-229.312159
HF Energy	-229.300980
Nuclear repulsion energy	188.293781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3758	3069	0.90
2	A₁	3574	2918	0.21
3	A₁	3540	2890	15.36
4	A₁	1853	1513	0.05
5	A₁	1825	1490	3.48
6	A₁	1748	1428	0.65
7	A₁	1691	1380	2.21
8	A₁	1398	1142	10.96
9	A₁	1252	1023	1.13
10	A₁	1042	850	0.00
11	A₁	506	413	0.09
12	A₁	215	176	0.40
13	A₂	3762	3071	0.00
14	A₂	3652	2982	0.00
15	A₂	1820	1486	0.00
16	A₂	1512	1234	0.00
17	A₂	1339	1093	0.00
18	A₂	946	772	0.00
19	A₂	226	185	0.00
20	A₂	110	90	0.00
21	B₁	3762	3071	1.67
22	B₁	3650	2981	24.12
23	B₁	1820	1486	2.28
24	B₁	1513	1235	1.36
25	B₁	1362	1112	20.41
26	B₁	963	786	0.41
27	B₁	232	190	1.63
28	B₁	116	95	3.65
29	B₂	3758	3069	0.66
30	B₂	3574	2918	1.08
31	B₂	3541	2891	3.46
32	B₂	1845	1507	4.73
33	B₂	1824	1489	2.15
34	B₂	1732	1415	9.82
35	B₂	1654	1351	95.70
36	B₂	1417	1157	8.72
37	B₂	1272	1039	0.61
38	B₂	1116	911	0.02
39	B₂	461	376	1.64

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.304
C2	0.000	1.175	-0.521
C3	0.000	-1.175	-0.521
C4	0.000	2.413	0.398
C5	0.000	-2.413	0.398
H6	0.883	1.196	-1.171
H7	-0.883	1.196	-1.171
H8	0.883	-1.196	-1.171
H9	-0.883	-1.196	-1.171
H10	0.000	3.320	-0.199
H11	0.000	-3.320	-0.199
H12	-0.881	2.412	1.032
H13	0.881	2.412	1.032
H14	0.881	-2.412	1.032
H15	-0.881	-2.412	1.032

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4354	1.4354	2.4146	2.4146	2.0946	2.0946	2.0946	2.0946	3.3581	3.3581	2.6689	2.6689	2.6689	2.6689
C2	1.4354		2.3493	1.5416	3.7031	1.0973	1.0973	2.6120	2.6120	2.1696	4.5064	2.1719	2.1719	4.0062	4.0062
C3	1.4354	2.3493		3.7031	1.5416	2.6120	2.6120	1.0973	1.0973	4.5064	2.1696	4.0062	4.0062	2.1719	2.1719
C4	2.4146	1.5416	3.7031		4.8256	2.1733	2.1733	4.0328	4.0328	1.0858	5.7639	1.0855	1.0855	4.9453	4.9453
C5	2.4146	3.7031	1.5416	4.8256		4.0328	4.0328	2.1733	2.1733	5.7639	1.0858	4.9453	4.9453	1.0855	1.0855
H6	2.0946	1.0973	2.6120	2.1733	4.0328		1.7666	2.3915	2.9732	2.4979	4.7032	3.0734	2.5164	4.2271	4.5806
H7	2.0946	1.0973	2.6120	2.1733	4.0328	1.7666		2.9732	2.3915	2.4979	4.7032	2.5164	3.0734	4.5806	4.2271
H8	2.0946	2.6120	1.0973	4.0328	2.1733	2.3915	2.9732		1.7666	4.7032	2.4979	4.5806	4.2271	2.5164	3.0734
H9	2.0946	2.6120	1.0973	4.0328	2.1733	2.9732	2.3915	1.7666		4.7032	2.4979	4.2271	4.5806	3.0734	2.5164
H10	3.3581	2.1696	4.5064	1.0858	5.7639	2.4979	2.4979	4.7032	4.7032		6.6404	1.7650	1.7650	5.9285	5.9285
H11	3.3581	4.5064	2.1696	5.7639	1.0858	4.7032	4.7032	2.4979	2.4979	6.6404		5.9285	5.9285	1.7650	1.7650
H12	2.6689	2.1719	4.0062	1.0855	4.9453	3.0734	2.5164	4.5806	4.2271	1.7650	5.9285		1.7623	5.1356	4.8238
H13	2.6689	2.1719	4.0062	1.0855	4.9453	2.5164	3.0734	4.2271	4.5806	1.7650	5.9285	1.7623		4.8238	5.1356
H14	2.6689	4.0062	2.1719	4.9453	1.0855	4.2271	4.5806	2.5164	3.0734	5.9285	1.7650	5.1356	4.8238		1.7623
H15	2.6689	4.0062	2.1719	4.9453	1.0855	4.5806	4.2271	3.0734	2.5164	5.9285	1.7650	4.8238	5.1356	1.7623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.351	O1	C2	H6	110.887
O1	C2	H7	110.887	O1	C3	C5	108.351
O1	C3	H8	110.887	O1	C3	H9	110.887
C2	O1	C3	109.837	C2	C4	H10	110.120
C2	C4	H12	110.322	C2	C4	H13	110.322
C3	C5	H11	110.120	C3	C5	H14	110.322
C3	C5	H15	110.322	C4	C2	H6	109.744
C4	C2	H7	109.744	C5	C3	H8	109.744
C5	C3	H9	109.744	H6	C2	H7	107.222
H8	C3	H9	107.222	H10	C4	H12	108.750
H10	C4	H13	108.750	H11	C5	H14	108.750
H11	C5	H15	108.750	H12	C4	H13	108.530
H14	C5	H15	108.530

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

using model chemistry: HF/STO-3G

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	-0.251
2	C	0.016
3	C	0.016
4	C	-0.182
5	C	-0.182
6	H	0.048
7	H	0.048
8	H	0.048
9	H	0.048
10	H	0.062
11	H	0.062
12	H	0.067
13	H	0.067
14	H	0.067
15	H	0.067

<r²>	178.421
(<r²>)^1/2	13.357

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

using model chemistry: HF/STO-3G

States and conformations

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