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	hartrees
Energy at 0K	-233.424621
Energy at 298.15K
HF Energy	-230.853051
Nuclear repulsion energy	184.945580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3108	3014
2	A'	3099	3005
3	A'	3054	2961
4	A'	3025	2933
5	A'	2975	2885
6	A'	2956	2867
7	A'	1605	1556
8	A'	1588	1540
9	A'	1582	1534
10	A'	1570	1523
11	A'	1516	1470
12	A'	1476	1431
13	A'	1436	1393
14	A'	1369	1328
15	A'	1212	1175
16	A'	1141	1107
17	A'	1086	1053
18	A'	1018	988
19	A'	910	883
20	A'	891	864
21	A'	421	408
22	A'	402	390
23	A'	184	178
24	A"	3106	3012
25	A"	3080	2987
26	A"	3015	2924
27	A"	2985	2895
28	A"	1581	1534
29	A"	1563	1516
30	A"	1359	1318
31	A"	1300	1261
32	A"	1213	1177
33	A"	1166	1131
34	A"	946	917
35	A"	792	768
36	A"	243	236
37	A"	236	229
38	A"	116	112
39	A"	95	92

Atom	x (Å)	y (Å)	z (Å)
C1	-2.421	0.512	0.000
O2	-1.263	-0.396	0.000
C3	0.000	0.362	0.000
C4	1.133	-0.683	0.000
C5	2.533	-0.006	0.000
H6	-3.309	-0.130	0.000
H7	-2.434	1.158	0.895
H8	-2.434	1.158	-0.895
H9	0.072	1.009	0.895
H10	0.072	1.009	-0.895
H11	1.012	-1.319	-0.888
H12	1.012	-1.319	0.888
H13	2.656	0.626	0.892
H14	2.656	0.626	-0.892
H15	3.330	-0.762	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4713	2.4253	3.7494	4.9808	1.0963	1.1043	1.1043	2.6942	2.6942	3.9907	3.9907	5.1552	5.1552	5.8906
O2	1.4713		1.4729	2.4135	3.8163	2.0632	2.1423	2.1423	2.1345	2.1345	2.6110	2.6110	4.1469	4.1469	4.6082
C3	2.4253	1.4729		1.5411	2.5596	3.3454	2.7135	2.7135	1.1066	1.1066	2.1534	2.1534	2.8139	2.8139	3.5150
C4	3.7494	2.4135	1.5411		1.5549	4.4767	4.1134	4.1134	2.1883	2.1883	1.0991	1.0991	2.1970	2.1970	2.1987
C5	4.9808	3.8163	2.5596	1.5549		5.8436	5.1801	5.1801	2.8086	2.8086	2.1970	2.1970	1.1003	1.1003	1.0989
H6	1.0963	2.0632	3.3454	4.4767	5.8436		1.7962	1.7962	3.6780	3.6780	4.5689	4.5689	6.0782	6.0782	6.6697
H7	1.1043	2.1423	2.7135	4.1134	5.1801	1.7962		1.7909	2.5106	3.0834	4.6039	4.2446	5.1177	5.4209	6.1420
H8	1.1043	2.1423	2.7135	4.1134	5.1801	1.7962	1.7909		3.0834	2.5106	4.2446	4.6039	5.4209	5.1177	6.1420
H9	2.6942	2.1345	1.1066	2.1883	2.8086	3.6780	2.5106	3.0834		1.7891	3.0791	2.5109	2.6120	3.1646	3.8153
H10	2.6942	2.1345	1.1066	2.1883	2.8086	3.6780	3.0834	2.5106	1.7891		2.5109	3.0791	3.1646	2.6120	3.8153
H11	3.9907	2.6110	2.1534	1.0991	2.1970	4.5689	4.6039	4.2446	3.0791	2.5109		1.7756	3.1071	2.5468	2.5444
H12	3.9907	2.6110	2.1534	1.0991	2.1970	4.5689	4.2446	4.6039	2.5109	3.0791	1.7756		2.5468	3.1071	2.5444
H13	5.1552	4.1469	2.8139	2.1970	1.1003	6.0782	5.1177	5.4209	2.6120	3.1646	3.1071	2.5468		1.7844	1.7831
H14	5.1552	4.1469	2.8139	2.1970	1.1003	6.0782	5.4209	5.1177	3.1646	2.6120	2.5468	3.1071	1.7844		1.7831
H15	5.8906	4.6082	3.5150	2.1987	1.0989	6.6697	6.1420	6.1420	3.8153	3.8153	2.5444	2.5444	1.7831	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	110.927	O2	C1	H6	106.023
O2	C1	H7	111.778	O2	C1	H8	111.778
O2	C3	C4	106.388	O2	C3	H9	110.886
O2	C3	H10	110.886	C3	C4	C5	111.535
C3	C4	H11	108.137	C3	C4	H12	108.137
C4	C3	H9	110.413	C4	C3	H10	110.413
C4	C5	H13	110.504	C4	C5	H14	110.504
C4	C5	H15	110.714	C5	C4	H11	110.571
C5	C4	H12	110.571	H6	C1	H7	109.426
H6	C1	H8	109.426	H7	C1	H8	108.364
H9	C3	H10	107.880	H11	C4	H12	107.760
H13	C5	H14	108.360	H13	C5	H15	108.340
H14	C5	H15	108.340

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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