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	hartrees
Energy at 0K	-232.187886
Energy at 298.15K
HF Energy	-232.155142
Nuclear repulsion energy	188.378966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	2997	32.45
2	A'	3178	2988	29.21
3	A'	3103	2918	20.83
4	A'	3085	2901	28.67
5	A'	3035	2854	66.05
6	A'	3008	2828	38.42
7	A'	1543	1451	1.37
8	A'	1516	1426	12.38
9	A'	1515	1424	3.01
10	A'	1499	1410	0.88
11	A'	1495	1405	0.14
12	A'	1455	1368	27.76
13	A'	1427	1342	3.27
14	A'	1345	1264	6.05
15	A'	1262	1187	84.58
16	A'	1217	1144	96.75
17	A'	1145	1077	3.86
18	A'	1094	1028	4.29
19	A'	1030	968	19.95
20	A'	923	868	4.81
21	A'	451	424	0.63
22	A'	415	391	2.88
23	A'	193	181	1.26
24	A"	3170	2981	57.72
25	A"	3147	2959	3.17
26	A"	3094	2909	63.12
27	A"	3045	2863	64.43
28	A"	1505	1415	6.09
29	A"	1495	1406	5.28
30	A"	1325	1246	0.40
31	A"	1282	1206	2.37
32	A"	1214	1142	7.09
33	A"	1185	1114	0.47
34	A"	907	853	1.95
35	A"	773	727	0.86
36	A"	248	233	1.33
37	A"	236	222	2.47
38	A"	116	109	1.39
39	A"	102	96	1.46

Atom	x (Å)	y (Å)	z (Å)
C1	-2.301	0.694	0.000
O2	-1.276	-0.268	0.000
C3	0.000	0.331	0.000
C4	1.055	-0.768	0.000
C5	2.479	-0.203	0.000
H6	-3.262	0.158	0.000
H7	-2.256	1.344	0.897
H8	-2.256	1.344	-0.897
H9	0.125	0.981	0.893
H10	0.125	0.981	-0.893
H11	0.893	-1.406	-0.886
H12	0.893	-1.406	0.886
H13	2.660	0.422	0.891
H14	2.660	0.422	-0.891
H15	3.227	-1.012	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4061	2.3298	3.6609	4.8641	1.0997	1.1085	1.1085	2.6011	2.6011	3.9238	3.9238	5.0482	5.0482	5.7857
O2	1.4061		1.4097	2.3840	3.7558	2.0313	2.0887	2.0887	2.0784	2.0784	2.6044	2.6044	4.0943	4.0943	4.5642
C3	2.3298	1.4097		1.5233	2.5361	3.2665	2.6302	2.6302	1.1115	1.1115	2.1441	2.1441	2.8068	2.8068	3.4954
C4	3.6609	2.3840	1.5233		1.5319	4.4153	4.0279	4.0279	2.1728	2.1728	1.1034	1.1034	2.1876	2.1876	2.1858
C5	4.8641	3.7558	2.5361	1.5319		5.7526	5.0613	5.0613	2.7827	2.7827	2.1784	2.1784	1.1036	1.1036	1.1013
H6	1.0997	2.0313	3.2665	4.4153	5.7526		1.7950	1.7950	3.5977	3.5977	4.5272	4.5272	5.9945	5.9945	6.5939
H7	1.1085	2.0887	2.6302	4.0279	5.0613	1.7950		1.7934	2.4079	3.0001	4.5443	4.1801	5.0014	5.3113	6.0344
H8	1.1085	2.0887	2.6302	4.0279	5.0613	1.7950	1.7934		3.0001	2.4079	4.1801	4.5443	5.3113	5.0014	6.0344
H9	2.6011	2.0784	1.1115	2.1728	2.7827	3.5977	2.4079	3.0001		1.7858	3.0739	2.5071	2.5962	3.1501	3.7938
H10	2.6011	2.0784	1.1115	2.1728	2.7827	3.5977	3.0001	2.4079	1.7858		2.5071	3.0739	3.1501	2.5962	3.7938
H11	3.9238	2.6044	2.1441	1.1034	2.1784	4.5272	4.5443	4.1801	3.0739	2.5071		1.7716	3.1015	2.5420	2.5275
H12	3.9238	2.6044	2.1441	1.1034	2.1784	4.5272	4.1801	4.5443	2.5071	3.0739	1.7716		2.5420	3.1015	2.5275
H13	5.0482	4.0943	2.8068	2.1876	1.1036	5.9945	5.0014	5.3113	2.5962	3.1501	3.1015	2.5420		1.7823	1.7808
H14	5.0482	4.0943	2.8068	2.1876	1.1036	5.9945	5.3113	5.0014	3.1501	2.5962	2.5420	3.1015	1.7823		1.7808
H15	5.7857	4.5642	3.4954	2.1858	1.1013	6.5939	6.0344	6.0344	3.7938	3.7938	2.5275	2.5275	1.7808	1.7808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.673	O2	C1	H6	107.696
O2	C1	H7	111.787	O2	C1	H8	111.787
O2	C3	C4	108.686	O2	C3	H9	110.498
O2	C3	H10	110.498	C3	C4	C5	112.216
C3	C4	H11	108.369	C3	C4	H12	108.369
C4	C3	H9	110.127	C4	C3	H10	110.127
C4	C5	H13	111.169	C4	C5	H14	111.169
C4	C5	H15	111.158	C5	C4	H11	110.452
C5	C4	H12	110.452	H6	C1	H7	108.757
H6	C1	H8	108.757	H7	C1	H8	107.980
H9	C3	H10	106.902	H11	C4	H12	106.798
H13	C5	H14	107.712	H13	C5	H15	107.731
H14	C5	H15	107.731

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

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVDZ

States and conformations

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