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	hartrees
Energy at 0K	-232.889096
Energy at 298.15K	-232.900391
HF Energy	-232.143401
Nuclear repulsion energy	189.923614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3193	2997	31.98
2	A₁	3112	2921	4.18
3	A₁	3045	2858	87.26
4	A₁	1604	1505	0.29
5	A₁	1562	1466	5.12
6	A₁	1510	1417	4.92
7	A₁	1456	1366	0.67
8	A₁	1228	1152	22.22
9	A₁	1106	1038	10.78
10	A₁	894	839	6.57
11	A₁	455	427	0.15
12	A₁	199	187	0.72
13	A₂	3202	3005	0.00
14	A₂	3074	2885	0.00
15	A₂	1545	1450	0.00
16	A₂	1332	1250	0.00
17	A₂	1215	1140	0.00
18	A₂	842	790	0.00
19	A₂	263	247	0.00
20	A₂	95	90	0.00
21	B₁	3202	3005	48.09
22	B₁	3073	2884	113.99
23	B₁	1545	1450	9.92
24	B₁	1340	1258	2.44
25	B₁	1248	1171	13.25
26	B₁	856	803	0.52
27	B₁	271	254	1.86
28	B₁	111	104	4.96
29	B₂	3192	2996	17.01
30	B₂	3111	2920	25.38
31	B₂	3036	2849	5.35
32	B₂	1586	1489	3.95
33	B₂	1560	1464	1.57
34	B₂	1476	1385	45.33
35	B₂	1430	1342	47.16
36	B₂	1223	1148	168.80
37	B₂	1140	1070	1.74
38	B₂	983	922	4.58
39	B₂	444	417	3.70

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.264
C2	0.000	1.177	-0.524
C3	0.000	-1.177	-0.524
C4	0.000	2.369	0.414
C5	0.000	-2.369	0.414
H6	0.887	1.195	-1.177
H7	-0.887	1.195	-1.177
H8	0.887	-1.195	-1.177
H9	-0.887	-1.195	-1.177
H10	0.000	3.305	-0.153
H11	0.000	-3.305	-0.153
H12	-0.887	2.345	1.053
H13	0.887	2.345	1.053
H14	0.887	-2.345	1.053
H15	-0.887	-2.345	1.053

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4168	1.4168	2.3739	2.3739	2.0719	2.0719	2.0719	2.0719	3.3317	3.3317	2.6281	2.6281	2.6281	2.6281
C2	1.4168		2.3548	1.5166	3.6685	1.1017	1.1017	2.6161	2.6161	2.1602	4.4982	2.1531	2.1531	3.9597	3.9597
C3	1.4168	2.3548		3.6685	1.5166	2.6161	2.6161	1.1017	1.1017	4.4982	2.1602	3.9597	3.9597	2.1531	2.1531
C4	2.3739	1.5166	3.6685		4.7384	2.1670	2.1670	4.0031	4.0031	1.0945	5.7029	1.0931	1.0931	4.8392	4.8392
C5	2.3739	3.6685	1.5166	4.7384		4.0031	4.0031	2.1670	2.1670	5.7029	1.0945	4.8392	4.8392	1.0931	1.0931
H6	2.0719	1.1017	2.6161	2.1670	4.0031		1.7742	2.3909	2.9773	2.5076	4.7005	3.0724	2.5087	4.1842	4.5446
H7	2.0719	1.1017	2.6161	2.1670	4.0031	1.7742		2.9773	2.3909	2.5076	4.7005	2.5087	3.0724	4.5446	4.1842
H8	2.0719	2.6161	1.1017	4.0031	2.1670	2.3909	2.9773		1.7742	4.7005	2.5076	4.5446	4.1842	2.5087	3.0724
H9	2.0719	2.6161	1.1017	4.0031	2.1670	2.9773	2.3909	1.7742		4.7005	2.5076	4.1842	4.5446	3.0724	2.5087
H10	3.3317	2.1602	4.4982	1.0945	5.7029	2.5076	2.5076	4.7005	4.7005		6.6109	1.7782	1.7782	5.8453	5.8453
H11	3.3317	4.4982	2.1602	5.7029	1.0945	4.7005	4.7005	2.5076	2.5076	6.6109		5.8453	5.8453	1.7782	1.7782
H12	2.6281	2.1531	3.9597	1.0931	4.8392	3.0724	2.5087	4.5446	4.1842	1.7782	5.8453		1.7731	5.0140	4.6900
H13	2.6281	2.1531	3.9597	1.0931	4.8392	2.5087	3.0724	4.1842	4.5446	1.7782	5.8453	1.7731		4.6900	5.0140
H14	2.6281	3.9597	2.1531	4.8392	1.0931	4.1842	4.5446	2.5087	3.0724	5.8453	1.7782	5.0140	4.6900		1.7731
H15	2.6281	3.9597	2.1531	4.8392	1.0931	4.5446	4.1842	3.0724	2.5087	5.8453	1.7782	4.6900	5.0140	1.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	107.999	O1	C2	H6	110.082
O1	C2	H7	110.082	O1	C3	C5	107.999
O1	C3	H8	110.082	O1	C3	H9	110.082
C2	O1	C3	112.405	C2	C4	H10	110.607
C2	C4	H12	110.127	C2	C4	H13	110.127
C3	C5	H11	110.607	C3	C5	H14	110.127
C3	C5	H15	110.127	C4	C2	H6	110.713
C4	C2	H7	110.713	C5	C3	H8	110.713
C5	C3	H9	110.713	H6	C2	H7	107.262
H8	C3	H9	107.262	H10	C4	H12	108.761
H10	C4	H13	108.761	H11	C5	H14	108.761
H11	C5	H15	108.761	H12	C4	H13	108.406
H14	C5	H15	108.406

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

using model chemistry: MP3/6-31G*

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

using model chemistry: MP3/6-31G*

States and conformations

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