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	hartrees
Energy at 0K	-232.963171
Energy at 298.15K	-232.974417
HF Energy	-232.164067
Nuclear repulsion energy	190.061426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3225	3029	30.97
2	A₁	3129	2939	3.94
3	A₁	3065	2879	111.09
4	A₁	1580	1484	0.29
5	A₁	1549	1455	5.15
6	A₁	1487	1397	4.57
7	A₁	1439	1351	0.57
8	A₁	1204	1131	15.66
9	A₁	1090	1023	15.87
10	A₁	875	822	10.29
11	A₁	445	418	0.06
12	A₁	197	185	0.74
13	A₂	3240	3043	0.00
14	A₂	3112	2923	0.00
15	A₂	1530	1437	0.00
16	A₂	1316	1236	0.00
17	A₂	1195	1122	0.00
18	A₂	836	785	0.00
19	A₂	261	245	0.00
20	A₂	89	84	0.00
21	B₁	3240	3043	44.13
22	B₁	3108	2919	106.79
23	B₁	1531	1438	12.87
24	B₁	1325	1244	3.70
25	B₁	1227	1152	12.42
26	B₁	848	797	0.12
27	B₁	264	248	1.57
28	B₁	109	102	5.88
29	B₂	3225	3029	14.26
30	B₂	3129	2938	33.57
31	B₂	3058	2872	9.20
32	B₂	1565	1470	2.01
33	B₂	1547	1453	2.33
34	B₂	1458	1369	36.76
35	B₂	1412	1326	42.58
36	B₂	1183	1111	179.91
37	B₂	1132	1064	2.50
38	B₂	973	914	7.55
39	B₂	440	413	3.22

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.273
C2	0.000	1.181	-0.522
C3	0.000	-1.181	-0.522
C4	0.000	2.371	0.408
C5	0.000	-2.371	0.408
H6	0.886	1.190	-1.168
H7	-0.886	1.190	-1.168
H8	0.886	-1.190	-1.168
H9	-0.886	-1.190	-1.168
H10	0.000	3.298	-0.164
H11	0.000	-3.298	-0.164
H12	-0.883	2.353	1.042
H13	0.883	2.353	1.042
H14	0.883	-2.353	1.042
H15	-0.883	-2.353	1.042

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4234	1.4234	2.3752	2.3752	2.0678	2.0678	2.0678	2.0678	3.3268	3.3268	2.6285	2.6285	2.6285	2.6285
C2	1.4234		2.3618	1.5106	3.6719	1.0963	1.0963	2.6118	2.6118	2.1469	4.4930	2.1448	2.1448	3.9643	3.9643
C3	1.4234	2.3618		3.6719	1.5106	2.6118	2.6118	1.0963	1.0963	4.4930	2.1469	3.9643	3.9643	2.1448	2.1448
C4	2.3752	1.5106	3.6719		4.7426	2.1598	2.1598	3.9936	3.9936	1.0894	5.6981	1.0875	1.0875	4.8479	4.8479
C5	2.3752	3.6719	1.5106	4.7426		3.9936	3.9936	2.1598	2.1598	5.6981	1.0894	4.8479	4.8479	1.0875	1.0875
H6	2.0678	1.0963	2.6118	2.1598	3.9936		1.7713	2.3793	2.9662	2.4972	4.6829	3.0607	2.4977	4.1756	4.5349
H7	2.0678	1.0963	2.6118	2.1598	3.9936	1.7713		2.9662	2.3793	2.4972	4.6829	2.4977	3.0607	4.5349	4.1756
H8	2.0678	2.6118	1.0963	3.9936	2.1598	2.3793	2.9662		1.7713	4.6829	2.4972	4.5349	4.1756	2.4977	3.0607
H9	2.0678	2.6118	1.0963	3.9936	2.1598	2.9662	2.3793	1.7713		4.6829	2.4972	4.1756	4.5349	3.0607	2.4977
H10	3.3268	2.1469	4.4930	1.0894	5.6981	2.4972	2.4972	4.6829	4.6829		6.5958	1.7690	1.7690	5.8456	5.8456
H11	3.3268	4.4930	2.1469	5.6981	1.0894	4.6829	4.6829	2.4972	2.4972	6.5958		5.8456	5.8456	1.7690	1.7690
H12	2.6285	2.1448	3.9643	1.0875	4.8479	3.0607	2.4977	4.5349	4.1756	1.7690	5.8456		1.7667	5.0269	4.7062
H13	2.6285	2.1448	3.9643	1.0875	4.8479	2.4977	3.0607	4.1756	4.5349	1.7690	5.8456	1.7667		4.7062	5.0269
H14	2.6285	3.9643	2.1448	4.8479	1.0875	4.1756	4.5349	2.4977	3.0607	5.8456	1.7690	5.0269	4.7062		1.7667
H15	2.6285	3.9643	2.1448	4.8479	1.0875	4.5349	4.1756	3.0607	2.4977	5.8456	1.7690	4.7062	5.0269	1.7667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.062	O1	C2	H6	109.613
O1	C2	H7	109.613	O1	C3	C5	108.062
O1	C3	H8	109.613	O1	C3	H9	109.613
C2	O1	C3	112.120	C2	C4	H10	110.279
C2	C4	H12	110.226	C2	C4	H13	110.226
C3	C5	H11	110.279	C3	C5	H14	110.226
C3	C5	H15	110.226	C4	C2	H6	110.890
C4	C2	H7	110.890	C5	C3	H8	110.890
C5	C3	H9	110.890	H6	C2	H7	107.766
H8	C3	H9	107.766	H10	C4	H12	108.710
H10	C4	H13	108.710	H11	C5	H14	108.710
H11	C5	H15	108.710	H12	C4	H13	108.644
H14	C5	H15	108.644

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

using model chemistry: MP2=FULL/6-31+G**

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

using model chemistry: MP2=FULL/6-31+G**

States and conformations

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