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	hartrees
Energy at 0K	-230.584783
Energy at 298.15K	-230.595374
HF Energy	-230.584783
Nuclear repulsion energy	183.611876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3376	3124	3.24
2	A₁	3215	2974	1.13
3	A₁	3106	2874	32.36
4	A₁	1652	1528	1.36
5	A₁	1631	1509	2.51
6	A₁	1522	1408	0.51
7	A₁	1467	1358	1.30
8	A₁	1212	1121	7.50
9	A₁	1062	982	1.36
10	A₁	887	820	0.07
11	A₁	439	406	0.00
12	A₁	192	178	0.50
13	A₂	3382	3129	0.00
14	A₂	3196	2957	0.00
15	A₂	1631	1509	0.00
16	A₂	1322	1223	0.00
17	A₂	1163	1076	0.00
18	A₂	847	783	0.00
19	A₂	199	184	0.00
20	A₂	114	105	0.00
21	B₁	3382	3129	5.58
22	B₁	3190	2951	50.71
23	B₁	1631	1509	5.00
24	B₁	1316	1218	0.04
25	B₁	1182	1093	10.99
26	B₁	857	793	3.14
27	B₁	195	180	0.89
28	B₁	103	95	2.47
29	B₂	3376	3124	1.18
30	B₂	3215	2974	2.12
31	B₂	3101	2869	14.70
32	B₂	1646	1523	0.26
33	B₂	1624	1503	7.80
34	B₂	1519	1405	1.16
35	B₂	1406	1301	80.77
36	B₂	1163	1076	19.98
37	B₂	1082	1002	15.02
38	B₂	963	891	0.29
39	B₂	406	375	1.16

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.360
C2	0.000	1.199	-0.533
C3	0.000	-1.199	-0.533
C4	0.000	2.470	0.388
C5	0.000	-2.470	0.388
H6	0.905	1.211	-1.202
H7	-0.905	1.211	-1.202
H8	0.905	-1.211	-1.202
H9	-0.905	-1.211	-1.202
H10	0.000	3.388	-0.234
H11	0.000	-3.388	-0.234
H12	-0.900	2.478	1.034
H13	0.900	2.478	1.034
H14	0.900	-2.478	1.034
H15	-0.900	-2.478	1.034

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4950	1.4950	2.4698	2.4698	2.1735	2.1735	2.1735	2.1735	3.4396	3.4396	2.7211	2.7211	2.7211	2.7211
C2	1.4950		2.3976	1.5695	3.7822	1.1251	1.1251	2.6594	2.6594	2.2095	4.5965	2.2144	2.2144	4.0970	4.0970
C3	1.4950	2.3976		3.7822	1.5695	2.6594	2.6594	1.1251	1.1251	4.5965	2.2095	4.0970	4.0970	2.2144	2.2144
C4	2.4698	1.5695	3.7822		4.9392	2.2203	2.2203	4.1099	4.1099	1.1089	5.8904	1.1083	1.1083	5.0700	5.0700
C5	2.4698	3.7822	1.5695	4.9392		4.1099	4.1099	2.2203	2.2203	5.8904	1.1089	5.0700	5.0700	1.1083	1.1083
H6	2.1735	1.1251	2.6594	2.2203	4.1099		1.8099	2.4218	3.0234	2.5486	4.7859	3.1406	2.5701	4.3135	4.6760
H7	2.1735	1.1251	2.6594	2.2203	4.1099	1.8099		3.0234	2.4218	2.5486	4.7859	2.5701	3.1406	4.6760	4.3135
H8	2.1735	2.6594	1.1251	4.1099	2.2203	2.4218	3.0234		1.8099	4.7859	2.5486	4.6760	4.3135	2.5701	3.1406
H9	2.1735	2.6594	1.1251	4.1099	2.2203	3.0234	2.4218	1.8099		4.7859	2.5486	4.3135	4.6760	3.1406	2.5701
H10	3.4396	2.2095	4.5965	1.1089	5.8904	2.5486	2.5486	4.7859	4.7859		6.7759	1.8019	1.8019	6.0684	6.0684
H11	3.4396	4.5965	2.2095	5.8904	1.1089	4.7859	4.7859	2.5486	2.5486	6.7759		6.0684	6.0684	1.8019	1.8019
H12	2.7211	2.2144	4.0970	1.1083	5.0700	3.1406	2.5701	4.6760	4.3135	1.8019	6.0684		1.8000	5.2724	4.9556
H13	2.7211	2.2144	4.0970	1.1083	5.0700	2.5701	3.1406	4.3135	4.6760	1.8019	6.0684	1.8000		4.9556	5.2724
H14	2.7211	4.0970	2.2144	5.0700	1.1083	4.3135	4.6760	2.5701	3.1406	6.0684	1.8019	5.2724	4.9556		1.8000
H15	2.7211	4.0970	2.2144	5.0700	1.1083	4.6760	4.3135	3.1406	2.5701	6.0684	1.8019	4.9556	5.2724	1.8000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	107.379	O1	C2	H6	111.320
O1	C2	H7	111.320	O1	C3	C5	107.379
O1	C3	H8	111.320	O1	C3	H9	111.320
C2	O1	C3	106.621	C2	C4	H10	109.976
C2	C4	H12	110.390	C2	C4	H13	110.390
C3	C5	H11	109.976	C3	C5	H14	110.390
C3	C5	H15	110.390	C4	C2	H6	109.872
C4	C2	H7	109.872	C5	C3	H8	109.872
C5	C3	H9	109.872	H6	C2	H7	107.091
H8	C3	H9	107.091	H10	C4	H12	108.719
H10	C4	H13	108.719	H11	C5	H14	108.719
H11	C5	H15	108.719	H12	C4	H13	108.599
H14	C5	H15	108.599

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

using model chemistry: BLYP/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	-0.174
2	C	-0.046
3	C	-0.046
4	C	-0.216
5	C	-0.216
6	H	0.060
7	H	0.060
8	H	0.060
9	H	0.060
10	H	0.074
11	H	0.074
12	H	0.077
13	H	0.077
14	H	0.077
15	H	0.077

<r²>	185.459
(<r²>)^1/2	13.618

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

using model chemistry: BLYP/STO-3G

States and conformations

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