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	hartrees
Energy at 0K	-233.510380
Energy at 298.15K
HF Energy	-232.033826
Nuclear repulsion energy	185.178576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3032	26.69
2	A'	3148	2991	35.16
3	A'	3079	2925	21.15
4	A'	3057	2904	26.91
5	A'	3028	2877	51.62
6	A'	2997	2847	37.80
7	A'	1597	1517	1.22
8	A'	1580	1501	5.46
9	A'	1575	1496	3.49
10	A'	1569	1491	5.00
11	A'	1517	1442	1.11
12	A'	1488	1414	7.56
13	A'	1458	1385	16.05
14	A'	1388	1319	5.06
15	A'	1225	1164	11.91
16	A'	1166	1108	8.82
17	A'	1085	1031	73.85
18	A'	1074	1020	33.32
19	A'	940	893	0.09
20	A'	893	848	19.96
21	A'	427	406	1.13
22	A'	406	386	3.76
23	A'	190	181	2.69
24	A"	3144	2987	70.62
25	A"	3121	2965	0.42
26	A"	3096	2941	61.97
27	A"	3039	2887	56.54
28	A"	1575	1497	7.11
29	A"	1557	1479	5.68
30	A"	1359	1291	0.05
31	A"	1311	1245	0.17
32	A"	1220	1159	5.13
33	A"	1171	1112	0.96
34	A"	944	897	1.66
35	A"	797	758	1.55
36	A"	242	230	0.07
37	A"	219	208	5.24
38	A"	114	108	3.34
39	A"	96	91	2.65

Atom	x (Å)	y (Å)	z (Å)
C1	-2.442	0.460	0.000
O2	-1.256	-0.403	0.000
C3	0.000	0.358	0.000
C4	1.150	-0.652	0.000
C5	2.535	0.035	0.000
H6	-3.301	-0.217	0.000
H7	-2.468	1.098	0.897
H8	-2.468	1.098	-0.897
H9	0.045	1.008	0.894
H10	0.045	1.008	-0.894
H11	1.043	-1.297	-0.884
H12	1.043	-1.297	0.884
H13	2.660	0.668	0.890
H14	2.660	0.668	-0.890
H15	3.340	-0.712	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4666	2.4443	3.7600	4.9948	1.0928	1.1015	1.1015	2.6987	2.6987	4.0013	4.0013	5.1836	5.1836	5.8994
O2	1.4666		1.4691	2.4188	3.8160	2.0528	2.1278	2.1278	2.1170	2.1170	2.6201	2.6201	4.1569	4.1569	4.6064
C3	2.4443	1.4691		1.5306	2.5551	3.3503	2.7283	2.7283	1.1056	1.1056	2.1467	2.1467	2.8222	2.8222	3.5070
C4	3.7600	2.4188	1.5306		1.5458	4.4715	4.1178	4.1178	2.1852	2.1852	1.0993	1.0993	2.1949	2.1949	2.1909
C5	4.9948	3.8160	2.5551	1.5458		5.8405	5.1925	5.1925	2.8187	2.8187	2.1864	2.1864	1.0997	1.0997	1.0980
H6	1.0928	2.0528	3.3503	4.4715	5.8405		1.7962	1.7962	3.6726	3.6726	4.5620	4.5620	6.0915	6.0915	6.6588
H7	1.1015	2.1278	2.7283	4.1178	5.1925	1.7962		1.7945	2.5143	3.0869	4.6080	4.2499	5.1463	5.4478	6.1491
H8	1.1015	2.1278	2.7283	4.1178	5.1925	1.7962	1.7945		3.0869	2.5143	4.2499	4.6080	5.4478	5.1463	6.1491
H9	2.6987	2.1170	1.1056	2.1852	2.8187	3.6726	2.5143	3.0869		1.7872	3.0769	2.5115	2.6375	3.1840	3.8227
H10	2.6987	2.1170	1.1056	2.1852	2.8187	3.6726	3.0869	2.5143	1.7872		2.5115	3.0769	3.1840	2.6375	3.8227
H11	4.0013	2.6201	2.1467	1.0993	2.1864	4.5620	4.6080	4.2499	3.0769	2.5115		1.7678	3.1026	2.5455	2.5299
H12	4.0013	2.6201	2.1467	1.0993	2.1864	4.5620	4.2499	4.6080	2.5115	3.0769	1.7678		2.5455	3.1026	2.5299
H13	5.1836	4.1569	2.8222	2.1949	1.0997	6.0915	5.1463	5.4478	2.6375	3.1840	3.1026	2.5455		1.7799	1.7773
H14	5.1836	4.1569	2.8222	2.1949	1.0997	6.0915	5.4478	5.1463	3.1840	2.6375	2.5455	3.1026	1.7799		1.7773
H15	5.8994	4.6064	3.5070	2.1909	1.0980	6.6588	6.1491	6.1491	3.8227	3.8227	2.5299	2.5299	1.7773	1.7773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.729	O2	C1	H6	105.726
O2	C1	H7	111.104	O2	C1	H8	111.104
O2	C3	C4	107.462	O2	C3	H9	109.817
O2	C3	H10	109.817	C3	C4	C5	112.307
C3	C4	H11	108.305	C3	C4	H12	108.305
C4	C3	H9	110.945	C4	C3	H10	110.945
C4	C5	H13	111.005	C4	C5	H14	111.005
C4	C5	H15	110.788	C5	C4	H11	110.357
C5	C4	H12	110.357	H6	C1	H7	109.885
H6	C1	H8	109.885	H7	C1	H8	109.094
H9	C3	H10	107.858	H11	C4	H12	107.035
H13	C5	H14	108.043	H13	C5	H15	107.935
H14	C5	H15	107.935

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

using model chemistry: MP2=FULL/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 (Methyl propyl ether)

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

States and conformations

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