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	hartrees
Energy at 0K	-44.521178
Energy at 298.15K	-44.532158
HF Energy	-44.521178
Nuclear repulsion energy	108.145008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3128	3029	87.54
2	A₁	3046	2949	2.32
3	A₁	2983	2888	166.20
4	A₁	1539	1490	3.10
5	A₁	1512	1464	7.85
6	A₁	1445	1399	3.62
7	A₁	1417	1373	3.67
8	A₁	1161	1124	11.17
9	A₁	1045	1012	10.73
10	A₁	818	793	5.40
11	A₁	419	405	0.09
12	A₁	183	177	1.44
13	A₂	3143	3043	0.00
14	A₂	3023	2927	0.00
15	A₂	1491	1444	0.00
16	A₂	1275	1235	0.00
17	A₂	1153	1116	0.00
18	A₂	819	793	0.00
19	A₂	233	226	0.00
20	A₂	90	87	0.00
21	B₁	3143	3044	138.33
22	B₁	3025	2929	177.04
23	B₁	1492	1445	15.73
24	B₁	1281	1241	0.13
25	B₁	1179	1142	15.44
26	B₁	832	806	6.33
27	B₁	237	229	2.49
28	B₁	101	98	8.63
29	B₂	3128	3029	44.91
30	B₂	3045	2948	73.79
31	B₂	2971	2877	14.77
32	B₂	1524	1476	1.65
33	B₂	1508	1461	6.72
34	B₂	1425	1380	25.70
35	B₂	1374	1331	45.10
36	B₂	1115	1080	91.17
37	B₂	1094	1059	75.18
38	B₂	942	912	10.30
39	B₂	413	399	5.24

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.264
C2	0.000	1.228	-0.542
C3	0.000	-1.228	-0.542
C4	0.000	2.423	0.433
C5	0.000	-2.423	0.433
H6	0.899	1.246	-1.195
H7	-0.899	1.246	-1.195
H8	0.899	-1.246	-1.195
H9	-0.899	-1.246	-1.195
H10	0.000	3.378	-0.124
H11	0.000	-3.378	-0.124
H12	-0.894	2.388	1.078
H13	0.894	2.388	1.078
H14	0.894	-2.388	1.078
H15	-0.894	-2.388	1.078

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4688	1.4688	2.4285	2.4285	2.1186	2.1186	2.1186	2.1186	3.4002	3.4002	2.6765	2.6765	2.6765	2.6765
C2	1.4688		2.4557	1.5419	3.7784	1.1110	1.1110	2.7117	2.7117	2.1903	4.6248	2.1837	2.1837	4.0616	4.0616
C3	1.4688	2.4557		3.7784	1.5419	2.7117	2.7117	1.1110	1.1110	4.6248	2.1903	4.0616	4.0616	2.1837	2.1837
C4	2.4285	1.5419	3.7784		4.8453	2.2004	2.2004	4.1128	4.1128	1.1058	5.8273	1.1029	1.1029	4.9353	4.9353
C5	2.4285	3.7784	1.5419	4.8453		4.1128	4.1128	2.2004	2.2004	5.8273	1.1058	4.9353	4.9353	1.1029	1.1029
H6	2.1186	1.1110	2.7117	2.2004	4.1128		1.7973	2.4917	3.0723	2.5496	4.8305	3.1118	2.5436	4.2860	4.6458
H7	2.1186	1.1110	2.7117	2.2004	4.1128	1.7973		3.0723	2.4917	2.5496	4.8305	2.5436	3.1118	4.6458	4.2860
H8	2.1186	2.7117	1.1110	4.1128	2.2004	2.4917	3.0723		1.7973	4.8305	2.5496	4.6458	4.2860	2.5436	3.1118
H9	2.1186	2.7117	1.1110	4.1128	2.2004	3.0723	2.4917	1.7973		4.8305	2.5496	4.2860	4.6458	3.1118	2.5436
H10	3.4002	2.1903	4.6248	1.1058	5.8273	2.5496	2.5496	4.8305	4.8305		6.7560	1.7956	1.7956	5.9573	5.9573
H11	3.4002	4.6248	2.1903	5.8273	1.1058	4.8305	4.8305	2.5496	2.5496	6.7560		5.9573	5.9573	1.7956	1.7956
H12	2.6765	2.1837	4.0616	1.1029	4.9353	3.1118	2.5436	4.6458	4.2860	1.7956	5.9573		1.7878	5.0996	4.7759
H13	2.6765	2.1837	4.0616	1.1029	4.9353	2.5436	3.1118	4.2860	4.6458	1.7956	5.9573	1.7878		4.7759	5.0996
H14	2.6765	4.0616	2.1837	4.9353	1.1029	4.2860	4.6458	2.5436	3.1118	5.9573	1.7956	5.0996	4.7759		1.7878
H15	2.6765	4.0616	2.1837	4.9353	1.1029	4.6458	4.2860	3.1118	2.5436	5.9573	1.7956	4.7759	5.0996	1.7878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	107.513	O1	C2	H6	109.637
O1	C2	H7	109.637	O1	C3	C5	107.513
O1	C3	H8	109.637	O1	C3	H9	109.637
C2	O1	C3	113.438	C2	C4	H10	110.555
C2	C4	H12	110.202	C2	C4	H13	110.202
C3	C5	H11	110.555	C3	C5	H14	110.202
C3	C5	H15	110.202	C4	C2	H6	111.040
C4	C2	H7	111.040	C5	C3	H8	111.040
C5	C3	H9	111.040	H6	C2	H7	107.969
H8	C3	H9	107.969	H10	C4	H12	108.769
H10	C4	H13	108.769	H11	C5	H14	108.769
H11	C5	H15	108.769	H12	C4	H13	108.288
H14	C5	H15	108.288

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

using model chemistry: B3LYP/CEP-31G

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	-0.291
2	C	-0.226
3	C	-0.226
4	C	-0.292
5	C	-0.292
6	H	0.122
7	H	0.122
8	H	0.122
9	H	0.122
10	H	0.127
11	H	0.127
12	H	0.147
13	H	0.147
14	H	0.147
15	H	0.147

<r²>	151.652
(<r²>)^1/2	12.315

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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