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	hartrees
Energy at 0K	-232.247989
Energy at 298.15K
HF Energy	-232.168295
Nuclear repulsion energy	187.849413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3168	29.14
2	A'	3148	3148	33.21
3	A'	3080	3080	23.26
4	A'	3060	3060	28.26
5	A'	3021	3021	68.13
6	A'	2997	2997	40.13
7	A'	1525	1525	3.51
8	A'	1506	1506	4.68
9	A'	1502	1502	5.94
10	A'	1490	1490	1.25
11	A'	1478	1478	0.05
12	A'	1436	1436	17.94
13	A'	1412	1412	2.13
14	A'	1335	1335	3.73
15	A'	1243	1243	46.87
16	A'	1188	1188	124.50
17	A'	1133	1133	13.25
18	A'	1079	1079	3.59
19	A'	1004	1004	20.18
20	A'	912	912	4.83
21	A'	445	445	0.63
22	A'	412	412	3.11
23	A'	193	193	1.32
24	A"	3141	3141	62.98
25	A"	3119	3119	0.19
26	A"	3079	3079	51.10
27	A"	3033	3033	50.17
28	A"	1497	1497	5.65
29	A"	1488	1488	6.51
30	A"	1318	1318	0.39
31	A"	1273	1273	1.63
32	A"	1199	1199	5.79
33	A"	1172	1172	0.44
34	A"	899	899	1.14
35	A"	763	763	0.74
36	A"	237	237	1.84
37	A"	223	223	1.83
38	A"	109	109	0.81
39	A"	102	102	2.31

Atom	x (Å)	y (Å)	z (Å)
C1	-2.320	0.671	0.000
O2	-1.281	-0.291	0.000
C3	0.000	0.322	0.000
C4	1.073	-0.761	0.000
C5	2.486	-0.159	0.000
H6	-3.274	0.128	0.000
H7	-2.270	1.315	0.898
H8	-2.270	1.315	-0.898
H9	0.108	0.970	0.894
H10	0.108	0.970	-0.894
H11	0.929	-1.399	-0.887
H12	0.929	-1.399	0.887
H13	2.651	0.469	0.891
H14	2.651	0.469	-0.891
H15	3.252	-0.948	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4166	2.3462	3.6830	4.8771	1.0980	1.1062	1.1062	2.6046	2.6046	3.9531	3.9531	5.0540	5.0540	5.8027
O2	1.4166		1.4201	2.4002	3.7691	2.0368	2.0896	2.0896	2.0781	2.0781	2.6258	2.6258	4.1024	4.1024	4.5802
C3	2.3462	1.4201		1.5247	2.5320	3.2798	2.6355	2.6355	1.1091	1.1091	2.1473	2.1473	2.8004	2.8004	3.4914
C4	3.6830	2.4002	1.5247		1.5362	4.4370	4.0366	4.0366	2.1740	2.1740	1.1017	1.1017	2.1904	2.1904	2.1871
C5	4.8771	3.7691	2.5320	1.5362		5.7671	5.0594	5.0594	2.7796	2.7796	2.1796	2.1796	1.1024	1.1024	1.1004
H6	1.0980	2.0368	3.2798	4.4370	5.7671		1.7959	1.7959	3.5982	3.5982	4.5585	4.5585	6.0011	6.0011	6.6142
H7	1.1062	2.0896	2.6355	4.0366	5.0594	1.7959		1.7962	2.4030	2.9976	4.5590	4.1952	4.9929	5.3038	6.0352
H8	1.1062	2.0896	2.6355	4.0366	5.0594	1.7959	1.7962		2.9976	2.4030	4.1952	4.5590	5.3038	4.9929	6.0352
H9	2.6046	2.0781	1.1091	2.1740	2.7796	3.5982	2.4030	2.9976		1.7877	3.0749	2.5070	2.5914	3.1466	3.7898
H10	2.6046	2.0781	1.1091	2.1740	2.7796	3.5982	2.9976	2.4030	1.7877		2.5070	3.0749	3.1466	2.5914	3.7898
H11	3.9531	2.6258	2.1473	1.1017	2.1796	4.5585	4.5590	4.1952	3.0749	2.5070		1.7733	3.1011	2.5411	2.5274
H12	3.9531	2.6258	2.1473	1.1017	2.1796	4.5585	4.1952	4.5590	2.5070	3.0749	1.7733		2.5411	3.1011	2.5274
H13	5.0540	4.1024	2.8004	2.1904	1.1024	6.0011	4.9929	5.3038	2.5914	3.1466	3.1011	2.5411		1.7820	1.7791
H14	5.0540	4.1024	2.8004	2.1904	1.1024	6.0011	5.3038	4.9929	3.1466	2.5914	2.5411	3.1011	1.7820		1.7791
H15	5.8027	4.5802	3.4914	2.1871	1.1004	6.6142	6.0352	6.0352	3.7898	3.7898	2.5274	2.5274	1.7791	1.7791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.599	O2	C1	H6	107.513
O2	C1	H7	111.248	O2	C1	H8	111.248
O2	C3	C4	109.136	O2	C3	H9	109.887
O2	C3	H10	109.887	C3	C4	C5	111.622
C3	C4	H11	108.612	C3	C4	H12	108.612
C4	C3	H9	110.263	C4	C3	H10	110.263
C4	C5	H13	111.163	C4	C5	H14	111.163
C4	C5	H15	111.025	C5	C4	H11	110.345
C5	C4	H12	110.345	H6	C1	H7	109.119
H6	C1	H8	109.119	H7	C1	H8	108.550
H9	C3	H10	107.390	H11	C4	H12	107.176
H13	C5	H14	107.847	H13	C5	H15	107.741
H14	C5	H15	107.741

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

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

States and conformations

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