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	hartrees
Energy at 0K	-233.523105
Energy at 298.15K
HF Energy	-232.227353
Nuclear repulsion energy	190.134842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3022	24.02
2	A'	3172	3012	23.64
3	A'	3109	2952	22.08
4	A'	3091	2935	20.10
5	A'	3040	2886	64.30
6	A'	3014	2861	40.13
7	A'	1553	1474	2.85
8	A'	1537	1459	10.59
9	A'	1532	1454	2.55
10	A'	1517	1440	1.27
11	A'	1496	1421	0.33
12	A'	1443	1370	18.52
13	A'	1426	1354	2.71
14	A'	1347	1279	1.90
15	A'	1248	1185	43.06
16	A'	1197	1137	124.91
17	A'	1148	1090	15.57
18	A'	1091	1036	3.15
19	A'	1012	961	21.24
20	A'	927	880	6.75
21	A'	445	423	0.71
22	A'	412	391	2.97
23	A'	191	181	1.31
24	A"	3164	3004	43.28
25	A"	3140	2981	1.75
26	A"	3091	2935	47.62
27	A"	3039	2885	51.34
28	A"	1530	1452	7.36
29	A"	1520	1443	6.91
30	A"	1336	1269	0.29
31	A"	1288	1222	1.83
32	A"	1215	1153	5.85
33	A"	1187	1127	0.22
34	A"	916	869	1.50
35	A"	780	740	1.37
36	A"	252	239	1.11
37	A"	239	227	2.09
38	A"	118	112	1.75
39	A"	108	103	1.26

Atom	x (Å)	y (Å)	z (Å)
C1	-2.292	0.664	0.000
O2	-1.266	-0.296	0.000
C3	0.000	0.316	0.000
C4	1.062	-0.751	0.000
C5	2.455	-0.151	0.000
H6	-3.237	0.136	0.000
H7	-2.240	1.301	0.885
H8	-2.240	1.301	-0.885
H9	0.109	0.956	0.881
H10	0.109	0.956	-0.881
H11	0.919	-1.380	-0.873
H12	0.919	-1.380	0.873
H13	2.612	0.470	0.877
H14	2.612	0.470	-0.877
H15	3.216	-0.924	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4046	2.3179	3.6398	4.8160	1.0827	1.0914	1.0914	2.5740	2.5740	3.9049	3.9049	4.9851	4.9851	5.7316
O2	1.4046		1.4066	2.3724	3.7242	2.0173	2.0692	2.0692	2.0583	2.0583	2.5910	2.5910	4.0495	4.0495	4.5259
C3	2.3179	1.4066		1.5052	2.4989	3.2418	2.6022	2.6022	1.0945	1.0945	2.1174	2.1174	2.7596	2.7596	3.4464
C4	3.6398	2.3724	1.5052		1.5165	4.3894	3.9870	3.9870	2.1439	2.1439	1.0860	1.0860	2.1591	2.1591	2.1606
C5	4.8160	3.7242	2.4989	1.5165		5.6990	4.9934	4.9934	2.7393	2.7393	2.1524	2.1524	1.0863	1.0863	1.0843
H6	1.0827	2.0173	3.2418	4.3894	5.6990		1.7700	1.7700	3.5559	3.5559	4.5091	4.5091	5.9236	5.9236	6.5390
H7	1.0914	2.0692	2.6022	3.9870	4.9934	1.7700		1.7695	2.3746	2.9592	4.5009	4.1433	4.9227	5.2286	5.9580
H8	1.0914	2.0692	2.6022	3.9870	4.9934	1.7700	1.7695		2.9592	2.3746	4.1433	4.5009	5.2286	4.9227	5.9580
H9	2.5740	2.0583	1.0945	2.1439	2.7393	3.5559	2.3746	2.9592		1.7623	3.0316	2.4723	2.5494	3.0971	3.7362
H10	2.5740	2.0583	1.0945	2.1439	2.7393	3.5559	2.9592	2.3746	1.7623		2.4723	3.0316	3.0971	2.5494	3.7362
H11	3.9049	2.5910	2.1174	1.0860	2.1524	4.5091	4.5009	4.1433	3.0316	2.4723		1.7468	3.0585	2.5077	2.4993
H12	3.9049	2.5910	2.1174	1.0860	2.1524	4.5091	4.1433	4.5009	2.4723	3.0316	1.7468		2.5077	3.0585	2.4993
H13	4.9851	4.0495	2.7596	2.1591	1.0863	5.9236	4.9227	5.2286	2.5494	3.0971	3.0585	2.5077		1.7549	1.7540
H14	4.9851	4.0495	2.7596	2.1591	1.0863	5.9236	5.2286	4.9227	3.0971	2.5494	2.5077	3.0585	1.7549		1.7540
H15	5.7316	4.5259	3.4464	2.1606	1.0843	6.5390	5.9580	5.9580	3.7362	3.7362	2.4993	2.4993	1.7540	1.7540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.080	O2	C1	H6	107.693
O2	C1	H7	111.378	O2	C1	H8	111.378
O2	C3	C4	109.081	O2	C3	H9	110.139
O2	C3	H10	110.139	C3	C4	C5	111.584
C3	C4	H11	108.522	C3	C4	H12	108.522
C4	C3	H9	110.114	C4	C3	H10	110.114
C4	C5	H13	111.024	C4	C5	H14	111.024
C4	C5	H15	111.266	C5	C4	H11	110.503
C5	C4	H12	110.503	H6	C1	H7	109.007
H6	C1	H8	109.007	H7	C1	H8	108.328
H9	C3	H10	107.240	H11	C4	H12	107.069
H13	C5	H14	107.743	H13	C5	H15	107.813
H14	C5	H15	107.813

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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