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	hartrees
Energy at 0K	-233.532932
Energy at 298.15K
HF Energy	-229.292989
Nuclear repulsion energy	184.712661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3556	3161	2.87
2	A'	3516	3125	3.33
3	A'	3413	3034	3.48
4	A'	3375	3000	3.25
5	A'	3321	2952	12.36
6	A'	3309	2941	14.41
7	A'	1745	1551	0.73
8	A'	1738	1545	0.97
9	A'	1731	1539	2.82
10	A'	1714	1523	0.33
11	A'	1646	1463	7.97
12	A'	1625	1444	3.55
13	A'	1593	1416	14.95
14	A'	1476	1312	34.25
15	A'	1333	1185	7.10
16	A'	1274	1132	8.90
17	A'	1228	1092	0.43
18	A'	1172	1042	0.07
19	A'	1073	954	1.47
20	A'	1007	895	2.69
21	A'	483	429	0.21
22	A'	423	376	0.60
23	A'	203	180	0.87
24	A"	3555	3160	4.77
25	A"	3526	3134	2.51
26	A"	3463	3078	12.64
27	A"	3427	3046	18.44
28	A"	1737	1544	1.68
29	A"	1707	1517	1.73
30	A"	1453	1292	0.00
31	A"	1398	1243	1.19
32	A"	1277	1135	5.18
33	A"	1229	1092	2.58
34	A"	996	886	1.72
35	A"	827	735	1.29
36	A"	261	232	1.82
37	A"	238	212	0.04
38	A"	120	107	2.13
39	A"	100	89	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	-2.304	0.803	0.000
O2	-1.329	-0.283	0.000
C3	0.000	0.332	0.000
C4	1.061	-0.818	0.000
C5	2.517	-0.262	0.000
H6	-3.311	0.339	0.000
H7	-2.216	1.454	0.899
H8	-2.216	1.454	-0.899
H9	0.145	0.980	0.897
H10	0.145	0.980	-0.897
H11	0.901	-1.453	-0.892
H12	0.901	-1.453	0.892
H13	2.698	0.359	0.894
H14	2.698	0.359	-0.894
H15	3.247	-1.088	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4597	2.3521	3.7355	4.9372	1.1085	1.1135	1.1135	2.6150	2.6150	4.0201	4.0201	5.1010	5.1010	5.8649
O2	1.4597		1.4643	2.4493	3.8458	2.0771	2.1474	2.1474	2.1387	2.1387	2.6719	2.6719	4.1749	4.1749	4.6467
C3	2.3521	1.4643		1.5644	2.5856	3.3110	2.6417	2.6417	1.1165	1.1165	2.1890	2.1890	2.8424	2.8424	3.5441
C4	3.7355	2.4493	1.5644		1.5584	4.5225	4.0876	4.0876	2.2081	2.2081	1.1061	1.1061	2.2058	2.2058	2.2029
C5	4.9372	3.8458	2.5856	1.5584		5.8585	5.1137	5.1137	2.8230	2.8230	2.1961	2.1961	1.1034	1.1034	1.1032
H6	1.1085	2.0771	3.3110	4.5225	5.8585		1.8029	1.8029	3.6281	3.6281	4.6637	4.6637	6.0752	6.0752	6.7117
H7	1.1135	2.1474	2.6417	4.0876	5.1137	1.8029		1.7985	2.4086	3.0049	4.6232	4.2623	5.0345	5.3443	6.0925
H8	1.1135	2.1474	2.6417	4.0876	5.1137	1.8029	1.7985		3.0049	2.4086	4.2623	4.6232	5.3443	5.0345	6.0925
H9	2.6150	2.1387	1.1165	2.2081	2.8230	3.6281	2.4086	3.0049		1.7948	3.1128	2.5473	2.6269	3.1795	3.8345
H10	2.6150	2.1387	1.1165	2.2081	2.8230	3.6281	3.0049	2.4086	1.7948		2.5473	3.1128	3.1795	2.6269	3.8345
H11	4.0201	2.6719	2.1890	1.1061	2.1961	4.6637	4.6232	4.2623	3.1128	2.5473		1.7834	3.1145	2.5518	2.5359
H12	4.0201	2.6719	2.1890	1.1061	2.1961	4.6637	4.2623	4.6232	2.5473	3.1128	1.7834		2.5518	3.1145	2.5359
H13	5.1010	4.1749	2.8424	2.2058	1.1034	6.0752	5.0345	5.3443	2.6269	3.1795	3.1145	2.5518		1.7878	1.7878
H14	5.1010	4.1749	2.8424	2.2058	1.1034	6.0752	5.3443	5.0345	3.1795	2.6269	2.5518	3.1145	1.7878		1.7878
H15	5.8649	4.6467	3.5441	2.2029	1.1032	6.7117	6.0925	6.0925	3.8345	3.8345	2.5359	2.5359	1.7878	1.7878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	107.111	O2	C1	H6	107.168
O2	C1	H7	112.444	O2	C1	H8	112.444
O2	C3	C4	107.886	O2	C3	H9	111.216
O2	C3	H10	111.216	C3	C4	C5	111.781
C3	C4	H11	108.899	C3	C4	H12	108.899
C4	C3	H9	109.773	C4	C3	H10	109.773
C4	C5	H13	110.762	C4	C5	H14	110.762
C4	C5	H15	110.550	C5	C4	H11	109.851
C5	C4	H12	109.851	H6	C1	H7	108.467
H6	C1	H8	108.467	H7	C1	H8	107.723
H9	C3	H10	106.979	H11	C4	H12	107.451
H13	C5	H14	108.211	H13	C5	H15	108.231
H14	C5	H15	108.231

All results from a given calculation for C₄H₁₀O (Methyl propyl ether)

using model chemistry: MP2=FULL/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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All results from a given calculation for C4H10O (Methyl propyl ether)

using model chemistry: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for C₄H₁₀O (Methyl propyl ether)