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	hartrees
Energy at 0K	-233.455555
Energy at 298.15K
HF Energy	-232.227035
Nuclear repulsion energy	189.465327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3019	24.21
2	A'	3168	3008	23.81
3	A'	3093	2936	21.77
4	A'	3074	2918	21.30
5	A'	3024	2871	64.38
6	A'	2996	2844	41.00
7	A'	1542	1464	2.58
8	A'	1526	1449	10.27
9	A'	1521	1444	2.62
10	A'	1506	1430	1.06
11	A'	1487	1412	0.32
12	A'	1432	1360	19.27
13	A'	1417	1345	1.94
14	A'	1336	1269	2.01
15	A'	1241	1179	39.39
16	A'	1187	1127	128.36
17	A'	1140	1083	16.19
18	A'	1081	1026	3.08
19	A'	1003	953	21.18
20	A'	919	872	6.48
21	A'	443	420	0.66
22	A'	410	389	2.98
23	A'	190	180	1.30
24	A"	3162	3002	44.58
25	A"	3139	2980	1.28
26	A"	3088	2932	48.27
27	A"	3037	2884	52.07
28	A"	1518	1441	7.09
29	A"	1507	1431	6.70
30	A"	1326	1259	0.31
31	A"	1278	1214	1.81
32	A"	1208	1147	5.91
33	A"	1182	1122	0.15
34	A"	908	862	1.47
35	A"	772	733	1.26
36	A"	244	232	2.57
37	A"	232	221	0.64
38	A"	112	107	1.78
39	A"	106	101	1.24

Atom	x (Å)	y (Å)	z (Å)
C1	-2.299	0.666	0.000
O2	-1.271	-0.297	0.000
C3	0.000	0.318	0.000
C4	1.065	-0.755	0.000
C5	2.463	-0.151	0.000
H6	-3.246	0.135	0.000
H7	-2.248	1.305	0.888
H8	-2.248	1.305	-0.888
H9	0.108	0.961	0.884
H10	0.108	0.961	-0.884
H11	0.922	-1.386	-0.876
H12	0.922	-1.386	0.876
H13	2.621	0.472	0.880
H14	2.621	0.472	-0.880
H15	3.227	-0.925	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4090	2.3254	3.6523	4.8321	1.0860	1.0946	1.0946	2.5817	2.5817	3.9186	3.9186	5.0023	5.0023	5.7512
O2	1.4090		1.4117	2.3806	3.7369	2.0221	2.0756	2.0756	2.0653	2.0653	2.6003	2.6003	4.0637	4.0637	4.5419
C3	2.3254	1.4117		1.5117	2.5075	3.2513	2.6104	2.6104	1.0985	1.0985	2.1265	2.1265	2.7694	2.7694	3.4586
C4	3.6523	2.3806	1.5117		1.5226	4.4024	4.0008	4.0008	2.1540	2.1540	1.0899	1.0899	2.1678	2.1678	2.1687
C5	4.8321	3.7369	2.5075	1.5226		5.7166	5.0101	5.0101	2.7501	2.7501	2.1612	2.1612	1.0897	1.0897	1.0879
H6	1.0860	2.0221	3.2513	4.4024	5.7166		1.7759	1.7759	3.5661	3.5661	4.5225	4.5225	5.9427	5.9427	6.5598
H7	1.0946	2.0756	2.6104	4.0008	5.0101	1.7759		1.7751	2.3812	2.9680	4.5166	4.1579	4.9398	5.2466	5.9782
H8	1.0946	2.0756	2.6104	4.0008	5.0101	1.7759	1.7751		2.9680	2.3812	4.1579	4.5166	5.2466	4.9398	5.9782
H9	2.5817	2.0653	1.0985	2.1540	2.7501	3.5661	2.3812	2.9680		1.7683	3.0446	2.4839	2.5599	3.1090	3.7506
H10	2.5817	2.0653	1.0985	2.1540	2.7501	3.5661	2.9680	2.3812	1.7683		2.4839	3.0446	3.1090	2.5599	3.7506
H11	3.9186	2.6003	2.1265	1.0899	2.1612	4.5225	4.5166	4.1579	3.0446	2.4839		1.7529	3.0703	2.5181	2.5094
H12	3.9186	2.6003	2.1265	1.0899	2.1612	4.5225	4.1579	4.5166	2.4839	3.0446	1.7529		2.5181	3.0703	2.5094
H13	5.0023	4.0637	2.7694	2.1678	1.0897	5.9427	4.9398	5.2466	2.5599	3.1090	3.0703	2.5181		1.7603	1.7590
H14	5.0023	4.0637	2.7694	2.1678	1.0897	5.9427	5.2466	4.9398	3.1090	2.5599	2.5181	3.0703	1.7603		1.7590
H15	5.7512	4.5419	3.4586	2.1687	1.0879	6.5598	5.9782	5.9782	3.7506	3.7506	2.5094	2.5094	1.7590	1.7590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.058	O2	C1	H6	107.575
O2	C1	H7	111.379	O2	C1	H8	111.379
O2	C3	C4	108.994	O2	C3	H9	110.104
O2	C3	H10	110.104	C3	C4	C5	111.457
C3	C4	H11	108.557	C3	C4	H12	108.557
C4	C3	H9	110.216	C4	C3	H10	110.216
C4	C5	H13	111.078	C4	C5	H14	111.078
C4	C5	H15	111.264	C5	C4	H11	110.540
C5	C4	H12	110.540	H6	C1	H7	109.054
H6	C1	H8	109.054	H7	C1	H8	108.353
H9	C3	H10	107.196	H11	C4	H12	107.053
H13	C5	H14	107.743	H13	C5	H15	107.756
H14	C5	H15	107.756

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

using model chemistry: MP2/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/cc-pVTZ

States and conformations

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