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	hartrees
Energy at 0K	-233.467742
Energy at 298.15K
HF Energy	-229.292933
Nuclear repulsion energy	184.689287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3555	3100	2.88
2	A'	3515	3065	3.34
3	A'	3413	2975	3.48
4	A'	3374	2942	3.25
5	A'	3320	2895	12.35
6	A'	3308	2884	14.41
7	A'	1745	1521	0.72
8	A'	1738	1515	0.97
9	A'	1731	1509	2.82
10	A'	1714	1494	0.33
11	A'	1646	1435	8.00
12	A'	1624	1416	3.52
13	A'	1592	1388	14.97
14	A'	1476	1287	34.29
15	A'	1333	1162	7.09
16	A'	1273	1110	8.93
17	A'	1228	1070	0.43
18	A'	1172	1022	0.07
19	A'	1073	935	1.47
20	A'	1007	878	2.69
21	A'	483	421	0.21
22	A'	423	368	0.60
23	A'	202	177	0.87
24	A"	3554	3099	4.79
25	A"	3525	3074	2.52
26	A"	3462	3019	12.66
27	A"	3426	2987	18.45
28	A"	1736	1514	1.67
29	A"	1707	1488	1.73
30	A"	1453	1267	0.00
31	A"	1398	1219	1.19
32	A"	1277	1113	5.18
33	A"	1229	1071	2.58
34	A"	996	868	1.72
35	A"	827	721	1.29
36	A"	261	227	1.82
37	A"	238	208	0.04
38	A"	120	105	2.13
39	A"	100	87	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	-2.305	0.804	0.000
O2	-1.329	-0.283	0.000
C3	0.000	0.332	0.000
C4	1.061	-0.818	0.000
C5	2.517	-0.262	0.000
H6	-3.311	0.340	0.000
H7	-2.216	1.454	0.899
H8	-2.216	1.454	-0.899
H9	0.146	0.980	0.898
H10	0.146	0.980	-0.898
H11	0.901	-1.453	-0.892
H12	0.901	-1.453	0.892
H13	2.698	0.359	0.894
H14	2.698	0.359	-0.894
H15	3.247	-1.089	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4598	2.3524	3.7360	4.9379	1.1086	1.1136	1.1136	2.6153	2.6153	4.0207	4.0207	5.1016	5.1016	5.8657
O2	1.4598		1.4645	2.4496	3.8464	2.0773	2.1476	2.1476	2.1389	2.1389	2.6723	2.6723	4.1754	4.1754	4.6473
C3	2.3524	1.4645		1.5648	2.5861	3.3113	2.6419	2.6419	1.1166	1.1166	2.1894	2.1894	2.8428	2.8428	3.5446
C4	3.7360	2.4496	1.5648		1.5588	4.5229	4.0881	4.0881	2.2085	2.2085	1.1062	1.1062	2.2061	2.2061	2.2032
C5	4.9379	3.8464	2.5861	1.5588		5.8593	5.1143	5.1143	2.8234	2.8234	2.1965	2.1965	1.1035	1.1035	1.1033
H6	1.1086	2.0773	3.3113	4.5229	5.8593		1.8031	1.8031	3.6284	3.6284	4.6642	4.6642	6.0758	6.0758	6.7125
H7	1.1136	2.1476	2.6419	4.0881	5.1143	1.8031		1.7986	2.4088	3.0051	4.6237	4.2627	5.0350	5.3448	6.0931
H8	1.1136	2.1476	2.6419	4.0881	5.1143	1.8031	1.7986		3.0051	2.4088	4.2627	4.6237	5.3448	5.0350	6.0931
H9	2.6153	2.1389	1.1166	2.2085	2.8234	3.6284	2.4088	3.0051		1.7950	3.1132	2.5477	2.6272	3.1799	3.8350
H10	2.6153	2.1389	1.1166	2.2085	2.8234	3.6284	3.0051	2.4088	1.7950		2.5477	3.1132	3.1799	2.6272	3.8350
H11	4.0207	2.6723	2.1894	1.1062	2.1965	4.6642	4.6237	4.2627	3.1132	2.5477		1.7837	3.1148	2.5521	2.5362
H12	4.0207	2.6723	2.1894	1.1062	2.1965	4.6642	4.2627	4.6237	2.5477	3.1132	1.7837		2.5521	3.1148	2.5362
H13	5.1016	4.1754	2.8428	2.2061	1.1035	6.0758	5.0350	5.3448	2.6272	3.1799	3.1148	2.5521		1.7880	1.7880
H14	5.1016	4.1754	2.8428	2.2061	1.1035	6.0758	5.3448	5.0350	3.1799	2.6272	2.5521	3.1148	1.7880		1.7880
H15	5.8657	4.6473	3.5446	2.2032	1.1033	6.7125	6.0931	6.0931	3.8350	3.8350	2.5362	2.5362	1.7880	1.7880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	107.108	O2	C1	H6	107.165
O2	C1	H7	112.441	O2	C1	H8	112.441
O2	C3	C4	107.882	O2	C3	H9	111.216
O2	C3	H10	111.216	C3	C4	C5	111.775
C3	C4	H11	108.899	C3	C4	H12	108.899
C4	C3	H9	109.772	C4	C3	H10	109.772
C4	C5	H13	110.758	C4	C5	H14	110.758
C4	C5	H15	110.545	C5	C4	H11	109.851
C5	C4	H12	109.851	H6	C1	H7	108.471
H6	C1	H8	108.471	H7	C1	H8	107.727
H9	C3	H10	106.986	H11	C4	H12	107.459
H13	C5	H14	108.216	H13	C5	H15	108.235
H14	C5	H15	108.235

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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