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	hartrees
Energy at 0K	-233.428315
Energy at 298.15K
HF Energy	-232.166513
Nuclear repulsion energy	187.039750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3157	3084
2	A'	3139	3067
3	A'	3067	2997
4	A'	3054	2984
5	A'	3005	2936
6	A'	2971	2902
7	A'	1576	1540
8	A'	1554	1518
9	A'	1549	1513
10	A'	1540	1505
11	A'	1512	1477
12	A'	1461	1428
13	A'	1459	1425
14	A'	1360	1328
15	A'	1249	1220
16	A'	1183	1156
17	A'	1148	1122
18	A'	1086	1061
19	A'	995	972
20	A'	928	907
21	A'	446	435
22	A'	415	406
23	A'	196	191
24	A"	3134	3062
25	A"	3110	3038
26	A"	3062	2992
27	A"	3007	2937
28	A"	1548	1512
29	A"	1531	1496
30	A"	1340	1309
31	A"	1295	1265
32	A"	1227	1199
33	A"	1187	1159
34	A"	923	901
35	A"	779	761
36	A"	246	241
37	A"	237	232
38	A"	114	111
39	A"	100	98

Atom	x (Å)	y (Å)	z (Å)
C1	-2.334	0.658	0.000
O2	-1.284	-0.311	0.000
C3	0.000	0.324	0.000
C4	1.083	-0.753	0.000
C5	2.494	-0.137	0.000
H6	-3.286	0.104	0.000
H7	-2.282	1.303	0.903
H8	-2.282	1.303	-0.903
H9	0.098	0.975	0.899
H10	0.098	0.975	-0.899
H11	0.943	-1.394	-0.890
H12	0.943	-1.394	0.890
H13	2.654	0.494	0.894
H14	2.654	0.494	-0.894
H15	3.269	-0.924	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4293	2.3578	3.6973	4.8932	1.1018	1.1104	1.1104	2.6117	2.6117	3.9676	3.9676	5.0704	5.0704	5.8223
O2	1.4293		1.4323	2.4078	3.7818	2.0454	2.1015	2.1015	2.0903	2.0903	2.6311	2.6311	4.1176	4.1176	4.5939
C3	2.3578	1.4323		1.5280	2.5365	3.2938	2.6418	2.6418	1.1138	1.1138	2.1528	2.1528	2.8060	2.8060	3.4993
C4	3.6973	2.4078	1.5280		1.5398	4.4529	4.0455	4.0455	2.1831	2.1831	1.1059	1.1059	2.1963	2.1963	2.1927
C5	4.8932	3.7818	2.5365	1.5398		5.7856	5.0694	5.0694	2.7906	2.7906	2.1863	2.1863	1.1062	1.1062	1.1042
H6	1.1018	2.0454	3.2938	4.4529	5.7856		1.8057	1.8057	3.6080	3.6080	4.5743	4.5743	6.0202	6.0202	6.6358
H7	1.1104	2.1015	2.6418	4.0455	5.0694	1.8057		1.8054	2.4020	3.0025	4.5702	4.2038	5.0019	5.3150	6.0487
H8	1.1104	2.1015	2.6418	4.0455	5.0694	1.8057	1.8054		3.0025	2.4020	4.2038	4.5702	5.3150	5.0019	6.0487
H9	2.6117	2.0903	1.1138	2.1831	2.7906	3.6080	2.4020	3.0025		1.7977	3.0866	2.5151	2.6015	3.1597	3.8041
H10	2.6117	2.0903	1.1138	2.1831	2.7906	3.6080	3.0025	2.4020	1.7977		2.5151	3.0866	3.1597	2.6015	3.8041
H11	3.9676	2.6311	2.1528	1.1059	2.1863	4.5743	4.5702	4.2038	3.0866	2.5151		1.7808	3.1111	2.5482	2.5351
H12	3.9676	2.6311	2.1528	1.1059	2.1863	4.5743	4.2038	4.5702	2.5151	3.0866	1.7808		2.5482	3.1111	2.5351
H13	5.0704	4.1176	2.8060	2.1963	1.1062	6.0202	5.0019	5.3150	2.6015	3.1597	3.1111	2.5482		1.7888	1.7853
H14	5.0704	4.1176	2.8060	2.1963	1.1062	6.0202	5.3150	5.0019	3.1597	2.6015	2.5482	3.1111	1.7888		1.7853
H15	5.8223	4.5939	3.4993	2.1927	1.1042	6.6358	6.0487	6.0487	3.8041	3.8041	2.5351	2.5351	1.7853	1.7853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	110.960	O2	C1	H6	107.110
O2	C1	H7	111.049	O2	C1	H8	111.049
O2	C3	C4	108.807	O2	C3	H9	109.732
O2	C3	H10	109.732	C3	C4	C5	111.548
C3	C4	H11	108.580	C3	C4	H12	108.580
C4	C3	H9	110.473	C4	C3	H10	110.473
C4	C5	H13	111.155	C4	C5	H14	111.155
C4	C5	H15	110.984	C5	C4	H11	110.379
C5	C4	H12	110.379	H6	C1	H7	109.419
H6	C1	H8	109.419	H7	C1	H8	108.763
H9	C3	H10	107.612	H11	C4	H12	107.249
H13	C5	H14	107.910	H13	C5	H15	107.740
H14	C5	H15	107.740

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

using model chemistry: MP4/aug-cc-pVDZ

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: MP4/aug-cc-pVDZ

States and conformations

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