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	hartrees
Energy at 0K	-233.462377
Energy at 298.15K
HF Energy	-232.220573
Nuclear repulsion energy	189.174377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3028	27.31
2	A'	3176	3011	28.76
3	A'	3104	2942	22.75
4	A'	3082	2921	24.69
5	A'	3036	2878	68.63
6	A'	3009	2852	43.14
7	A'	1559	1478	1.27
8	A'	1535	1455	11.84
9	A'	1531	1451	3.42
10	A'	1518	1439	0.52
11	A'	1510	1431	0.47
12	A'	1461	1385	21.42
13	A'	1438	1363	1.72
14	A'	1357	1286	2.56
15	A'	1259	1193	30.84
16	A'	1186	1124	122.24
17	A'	1150	1090	27.51
18	A'	1083	1027	3.77
19	A'	1001	949	24.12
20	A'	928	879	5.65
21	A'	447	424	0.47
22	A'	416	394	3.50
23	A'	195	185	1.46
24	A"	3173	3008	54.20
25	A"	3151	2987	0.14
26	A"	3101	2939	53.38
27	A"	3051	2892	55.63
28	A"	1522	1442	7.03
29	A"	1506	1427	5.97
30	A"	1331	1262	0.30
31	A"	1290	1223	1.73
32	A"	1224	1160	6.35
33	A"	1192	1130	0.28
34	A"	922	874	1.38
35	A"	789	747	0.55
36	A"	243	231	2.87
37	A"	231	219	1.13
38	A"	106	100	0.40
39	A"	93	88	3.20

Atom	x (Å)	y (Å)	z (Å)
C1	-2.304	0.666	0.000
O2	-1.274	-0.299	0.000
C3	0.000	0.317	0.000
C4	1.069	-0.754	0.000
C5	2.468	-0.149	0.000
H6	-3.250	0.130	0.000
H7	-2.253	1.304	0.890
H8	-2.253	1.304	-0.890
H9	0.109	0.958	0.887
H10	0.109	0.958	-0.887
H11	0.929	-1.384	-0.880
H12	0.929	-1.384	0.880
H13	2.626	0.474	0.882
H14	2.626	0.474	-0.882
H15	3.231	-0.926	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4119	2.3306	3.6595	4.8408	1.0874	1.0960	1.0960	2.5872	2.5872	3.9281	3.9281	5.0119	5.0119	5.7595
O2	1.4119		1.4148	2.3862	3.7445	2.0222	2.0785	2.0785	2.0681	2.0681	2.6083	2.6083	4.0721	4.0721	4.5480
C3	2.3306	1.4148		1.5123	2.5110	3.2555	2.6162	2.6162	1.0997	1.0997	2.1279	2.1279	2.7744	2.7744	3.4615
C4	3.6595	2.3862	1.5123		1.5243	4.4081	4.0075	4.0075	2.1531	2.1531	1.0912	1.0912	2.1702	2.1702	2.1690
C5	4.8408	3.7445	2.5110	1.5243		5.7244	5.0188	5.0188	2.7521	2.7521	2.1604	2.1604	1.0912	1.0912	1.0897
H6	1.0874	2.0222	3.2555	4.4081	5.7244		1.7785	1.7785	3.5712	3.5712	4.5310	4.5310	5.9516	5.9516	6.5663
H7	1.0960	2.0785	2.6162	4.0075	5.0188	1.7785		1.7806	2.3873	2.9763	4.5257	4.1651	4.9491	5.2570	5.9866
H8	1.0960	2.0785	2.6162	4.0075	5.0188	1.7785	1.7806		2.9763	2.3873	4.1651	4.5257	5.2570	4.9491	5.9866
H9	2.5872	2.0681	1.0997	2.1531	2.7521	3.5712	2.3873	2.9763		1.7741	3.0456	2.4806	2.5630	3.1145	3.7526
H10	2.5872	2.0681	1.0997	2.1531	2.7521	3.5712	2.9763	2.3873	1.7741		2.4806	3.0456	3.1145	2.5630	3.7526
H11	3.9281	2.6083	2.1279	1.0912	2.1604	4.5310	4.5257	4.1651	3.0456	2.4806		1.7600	3.0716	2.5156	2.5063
H12	3.9281	2.6083	2.1279	1.0912	2.1604	4.5310	4.1651	4.5257	2.4806	3.0456	1.7600		2.5156	3.0716	2.5063
H13	5.0119	4.0721	2.7744	2.1702	1.0912	5.9516	4.9491	5.2570	2.5630	3.1145	3.0716	2.5156		1.7649	1.7620
H14	5.0119	4.0721	2.7744	2.1702	1.0912	5.9516	5.2570	4.9491	3.1145	2.5630	2.5156	3.0716	1.7649		1.7620
H15	5.7595	4.5480	3.4615	2.1690	1.0897	6.5663	5.9866	5.9866	3.7526	3.7526	2.5063	2.5063	1.7620	1.7620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.075	O2	C1	H6	107.314
O2	C1	H7	111.325	O2	C1	H8	111.325
O2	C3	C4	109.165	O2	C3	H9	110.033
O2	C3	H10	110.033	C3	C4	C5	111.564
C3	C4	H11	108.549	C3	C4	H12	108.549
C4	C3	H9	110.033	C4	C3	H10	110.033
C4	C5	H13	111.060	C4	C5	H14	111.060
C4	C5	H15	111.061	C5	C4	H11	110.283
C5	C4	H12	110.283	H6	C1	H7	109.090
H6	C1	H8	109.090	H7	C1	H8	108.647
H9	C3	H10	107.529	H11	C4	H12	107.499
H13	C5	H14	107.928	H13	C5	H15	107.791
H14	C5	H15	107.791

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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