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	hartrees
Energy at 0K	-232.230980
Energy at 298.15K
HF Energy	-230.854904
Nuclear repulsion energy	185.729761

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3149	3149	29.42
2	A'	3139	3139	29.37
3	A'	3095	3095	14.65
4	A'	3066	3066	19.61
5	A'	3024	3024	42.62
6	A'	3005	3005	26.56
7	A'	1624	1624	0.90
8	A'	1606	1606	9.31
9	A'	1598	1598	3.75
10	A'	1587	1587	2.57
11	A'	1537	1537	2.28
12	A'	1494	1494	10.05
13	A'	1460	1460	21.92
14	A'	1389	1389	2.80
15	A'	1236	1236	18.84
16	A'	1159	1159	9.29
17	A'	1128	1128	82.30
18	A'	1039	1039	0.46
19	A'	937	937	7.06
20	A'	915	915	12.47
21	A'	430	430	1.29
22	A'	410	410	3.35
23	A'	188	188	2.67
24	A"	3145	3145	50.70
25	A"	3118	3118	3.22
26	A"	3064	3064	60.66
27	A"	3032	3032	49.37
28	A"	1596	1596	7.57
29	A"	1583	1583	5.19
30	A"	1375	1375	0.07
31	A"	1318	1318	0.51
32	A"	1232	1232	3.76
33	A"	1186	1186	0.61
34	A"	957	957	1.97
35	A"	802	802	2.19
36	A"	248	248	0.06
37	A"	236	236	4.32
38	A"	123	123	3.74
39	A"	99	99	1.65

Atom	x (Å)	y (Å)	z (Å)
C1	-2.412	0.513	0.000
O2	-1.258	-0.382	0.000
C3	0.000	0.360	0.000
C4	1.127	-0.685	0.000
C5	2.525	-0.015	0.000
H6	-3.297	-0.129	0.000
H7	-2.427	1.156	0.893
H8	-2.427	1.156	-0.893
H9	0.075	1.005	0.892
H10	0.075	1.005	-0.892
H11	1.004	-1.319	-0.885
H12	1.004	-1.319	0.885
H13	2.650	0.614	0.890
H14	2.650	0.614	-0.890
H15	3.318	-0.772	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4597	2.4167	3.7362	4.9653	1.0930	1.1005	1.1005	2.6875	2.6875	3.9754	3.9754	5.1403	5.1403	5.8718
O2	1.4597		1.4608	2.4048	3.8013	2.0539	2.1281	2.1281	2.1204	2.1204	2.6035	2.6035	4.1300	4.1300	4.5926
C3	2.4167	1.4608		1.5371	2.5530	3.3328	2.7061	2.7061	1.1028	1.1028	2.1471	2.1471	2.8067	2.8067	3.5056
C4	3.7362	2.4048	1.5371		1.5498	4.4587	4.1014	4.1014	2.1810	2.1810	1.0959	1.0959	2.1902	2.1902	2.1921
C5	4.9653	3.8013	2.5530	1.5498		5.8230	5.1671	5.1671	2.7999	2.7999	2.1903	2.1903	1.0972	1.0972	1.0957
H6	1.0930	2.0539	3.3328	4.4587	5.8230		1.7899	1.7899	3.6674	3.6674	4.5488	4.5488	6.0584	6.0584	6.6455
H7	1.1005	2.1281	2.7061	4.1014	5.1671	1.7899		1.7855	2.5072	3.0772	4.5889	4.2305	5.1061	5.4082	6.1255
H8	1.1005	2.1281	2.7061	4.1014	5.1671	1.7899	1.7855		3.0772	2.5072	4.2305	4.5889	5.4082	5.1061	6.1255
H9	2.6875	2.1204	1.1028	2.1810	2.7999	3.6674	2.5072	3.0772		1.7830	3.0690	2.5025	2.6041	3.1550	3.8036
H10	2.6875	2.1204	1.1028	2.1810	2.7999	3.6674	3.0772	2.5072	1.7830		2.5025	3.0690	3.1550	2.6041	3.8036
H11	3.9754	2.6035	2.1471	1.0959	2.1903	4.5488	4.5889	4.2305	3.0690	2.5025		1.7703	3.0979	2.5391	2.5371
H12	3.9754	2.6035	2.1471	1.0959	2.1903	4.5488	4.2305	4.5889	2.5025	3.0690	1.7703		2.5391	3.0979	2.5371
H13	5.1403	4.1300	2.8067	2.1902	1.0972	6.0584	5.1061	5.4082	2.6041	3.1550	3.0979	2.5391		1.7795	1.7777
H14	5.1403	4.1300	2.8067	2.1902	1.0972	6.0584	5.4082	5.1061	3.1550	2.6041	2.5391	3.0979	1.7795		1.7777
H15	5.8718	4.5926	3.5056	2.1921	1.0957	6.6455	6.1255	6.1255	3.8036	3.8036	2.5371	2.5371	1.7777	1.7777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.684	O2	C1	H6	106.256
O2	C1	H7	111.679	O2	C1	H8	111.679
O2	C3	C4	106.646	O2	C3	H9	110.834
O2	C3	H10	110.834	C3	C4	C5	111.592
C3	C4	H11	108.097	C3	C4	H12	108.097
C4	C3	H9	110.334	C4	C3	H10	110.334
C4	C5	H13	110.503	C4	C5	H14	110.503
C4	C5	H15	110.740	C5	C4	H11	110.587
C5	C4	H12	110.587	H6	C1	H7	109.375
H6	C1	H8	109.375	H7	C1	H8	108.431
H9	C3	H10	107.882	H11	C4	H12	107.747
H13	C5	H14	108.370	H13	C5	H15	108.322
H14	C5	H15	108.322

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

using model chemistry: MP3=FULL/3-21G

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/3-21G

States and conformations

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