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	hartrees
Energy at 0K	-232.044277
Energy at 298.15K	-232.055692
HF Energy	-232.044277
Nuclear repulsion energy	189.440733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3271	2953	56.07
2	A₁	3200	2890	0.26
3	A₁	3167	2860	101.57
4	A₁	1700	1535	0.33
5	A₁	1659	1498	7.55
6	A₁	1596	1441	4.00
7	A₁	1577	1424	2.34
8	A₁	1286	1161	17.72
9	A₁	1133	1023	8.08
10	A₁	918	829	11.28
11	A₁	460	415	0.38
12	A₁	197	178	1.18
13	A₂	3289	2970	0.00
14	A₂	3194	2884	0.00
15	A₂	1642	1482	0.00
16	A₂	1423	1285	0.00
17	A₂	1287	1162	0.00
18	A₂	908	820	0.00
19	A₂	259	234	0.00
20	A₂	95	86	0.00
21	B₁	3290	2971	86.87
22	B₁	3198	2888	124.77
23	B₁	1642	1483	10.15
24	B₁	1430	1291	1.85
25	B₁	1315	1188	20.35
26	B₁	921	831	0.61
27	B₁	266	240	3.30
28	B₁	106	95	9.97
29	B₂	3270	2953	27.60
30	B₂	3199	2889	56.66
31	B₂	3157	2851	2.09
32	B₂	1685	1521	4.76
33	B₂	1657	1496	2.57
34	B₂	1579	1426	14.47
35	B₂	1530	1381	69.50
36	B₂	1248	1127	202.89
37	B₂	1211	1093	22.71
38	B₂	1029	929	7.16
39	B₂	457	412	4.52

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.206
C2	0.000	1.218	-0.541
C3	0.000	-1.218	-0.541
C4	0.000	2.365	0.448
C5	0.000	-2.365	0.448
H6	0.878	1.255	-1.180
H7	-0.878	1.255	-1.180
H8	0.878	-1.255	-1.180
H9	-0.878	-1.255	-1.180
H10	0.000	3.319	-0.068
H11	0.000	-3.319	-0.068
H12	-0.877	2.313	1.081
H13	0.877	2.313	1.081
H14	0.877	-2.313	1.081
H15	-0.877	-2.313	1.081

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4285	1.4285	2.3772	2.3772	2.0658	2.0658	2.0658	2.0658	3.3298	3.3298	2.6237	2.6237	2.6237	2.6237
C2	1.4285		2.4361	1.5143	3.7169	1.0869	1.0869	2.7015	2.7015	2.1530	4.5612	2.1439	2.1439	3.9831	3.9831
C3	1.4285	2.4361		3.7169	1.5143	2.7015	2.7015	1.0869	1.0869	4.5612	2.1530	3.9831	3.9831	2.1439	2.1439
C4	2.3772	1.5143	3.7169		4.7296	2.1572	2.1572	4.0656	4.0656	1.0846	5.7068	1.0822	1.0822	4.8010	4.8010
C5	2.3772	3.7169	1.5143	4.7296		4.0656	4.0656	2.1572	2.1572	5.7068	1.0846	4.8010	4.8010	1.0822	1.0822
H6	2.0658	1.0869	2.7015	2.1572	4.0656		1.7562	2.5109	3.0641	2.5028	4.7885	3.0511	2.4961	4.2244	4.5743
H7	2.0658	1.0869	2.7015	2.1572	4.0656	1.7562		3.0641	2.5109	2.5028	4.7885	2.4961	3.0511	4.5743	4.2244
H8	2.0658	2.7015	1.0869	4.0656	2.1572	2.5109	3.0641		1.7562	4.7885	2.5028	4.5743	4.2244	2.4961	3.0511
H9	2.0658	2.7015	1.0869	4.0656	2.1572	3.0641	2.5109	1.7562		4.7885	2.5028	4.2244	4.5743	3.0511	2.4961
H10	3.3298	2.1530	4.5612	1.0846	5.7068	2.5028	2.5028	4.7885	4.7885		6.6371	1.7606	1.7606	5.8139	5.8139
H11	3.3298	4.5612	2.1530	5.7068	1.0846	4.7885	4.7885	2.5028	2.5028	6.6371		5.8139	5.8139	1.7606	1.7606
H12	2.6237	2.1439	3.9831	1.0822	4.8010	3.0511	2.4961	4.5743	4.2244	1.7606	5.8139		1.7531	4.9468	4.6258
H13	2.6237	2.1439	3.9831	1.0822	4.8010	2.4961	3.0511	4.2244	4.5743	1.7606	5.8139	1.7531		4.6258	4.9468
H14	2.6237	3.9831	2.1439	4.8010	1.0822	4.2244	4.5743	2.4961	3.0511	5.8139	1.7606	4.9468	4.6258		1.7531
H15	2.6237	3.9831	2.1439	4.8010	1.0822	4.5743	4.2244	3.0511	2.4961	5.8139	1.7606	4.6258	4.9468	1.7531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	107.728	O1	C2	H6	109.676
O1	C2	H7	109.676	O1	C3	C5	107.728
O1	C3	H8	109.676	O1	C3	H9	109.676
C2	O1	C3	117.007	C2	C4	H10	110.794
C2	C4	H12	110.208	C2	C4	H13	110.208
C3	C5	H11	110.794	C3	C5	H14	110.208
C3	C5	H15	110.208	C4	C2	H6	110.990
C4	C2	H7	110.990	C5	C3	H8	110.990
C5	C3	H9	110.990	H6	C2	H7	107.780
H8	C3	H9	107.780	H10	C4	H12	108.690
H10	C4	H13	108.690	H11	C5	H14	108.690
H11	C5	H15	108.690	H12	C4	H13	108.187
H14	C5	H15	108.187

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

using model chemistry: HF/6-31G

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	CHELPG
1	O	-0.719	-0.658
2	C	0.049	0.491
3	C	0.049	0.491
4	C	-0.451	-0.279
5	C	-0.451	-0.279
6	H	0.139	-0.048
7	H	0.139	-0.048
8	H	0.139	-0.048
9	H	0.139	-0.048
10	H	0.143	0.048
11	H	0.143	0.048
12	H	0.171	0.082
13	H	0.171	0.082
14	H	0.171	0.082
15	H	0.171	0.082

<r²>	177.498
(<r²>)^1/2	13.323

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

using model chemistry: HF/6-31G

States and conformations

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