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	hartrees
Energy at 0K	-43.842484
Energy at 298.15K	-43.853484
HF Energy	-43.354988
Nuclear repulsion energy	112.056343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3120	3045	34.82
2	A	3089	3015	52.76
3	A	3084	3010	20.28
4	A	3076	3002	102.35
5	A	3066	2992	11.08
6	A	3051	2978	66.08
7	A	3042	2969	3.28
8	A	2971	2900	27.68
9	A	2966	2894	20.92
10	A	2956	2885	41.12
11	A	1536	1499	10.91
12	A	1535	1498	11.56
13	A	1530	1493	0.95
14	A	1523	1486	4.30
15	A	1511	1475	4.18
16	A	1509	1472	0.01
17	A	1482	1447	0.43
18	A	1449	1414	11.12
19	A	1432	1398	15.17
20	A	1385	1351	10.37
21	A	1364	1331	9.33
22	A	1227	1198	4.34
23	A	1185	1156	16.77
24	A	1174	1146	64.24
25	A	1152	1124	16.37
26	A	1144	1116	5.56
27	A	1002	978	53.69
28	A	951	928	0.17
29	A	926	904	0.00
30	A	886	865	7.81
31	A	730	712	12.37
32	A	526	514	2.88
33	A	397	387	13.91
34	A	359	351	1.46
35	A	291	284	1.24
36	A	249	243	0.09
37	A	247	241	2.25
38	A	169	165	2.04
39	A	41	40	5.43

Atom	x (Å)	y (Å)	z (Å)
C1	-1.773	-0.000	-0.430
H2	-1.625	-0.902	-1.049
H3	-2.789	-0.002	-0.015
H4	-1.627	0.904	-1.046
O5	-0.888	-0.001	0.758
C6	1.033	-1.298	-0.260
H7	2.134	-1.370	-0.257
H8	0.619	-2.180	0.256
H9	0.695	-1.305	-1.310
C10	1.031	1.299	-0.259
H11	2.132	1.373	-0.256
H12	0.693	1.306	-1.310
H13	0.616	2.180	0.257
C14	0.587	0.000	0.476
H15	0.996	0.000	1.499

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	H11	H12	H13	C14	H15
C1		1.1043	1.0971	1.1043	1.4815	3.0960	4.1444	3.3082	2.9275	3.0949	4.1436	2.9267	3.3063	2.5286	3.3745
H2	1.1043		1.7985	1.8065	2.1499	2.8005	3.8702	2.8934	2.3690	3.5386	4.4635	3.2125	4.0282	2.8347	3.7650
H3	1.0971	1.7985		1.7985	2.0523	4.0427	5.1157	4.0537	3.9386	4.0425	5.1156	3.9388	4.0531	3.4121	4.0765
H4	1.1043	1.8065	1.7985		2.1499	3.5412	4.4656	4.0312	3.2159	2.7997	3.8699	2.3696	2.8905	2.8352	3.7647
O5	1.4815	2.1499	2.0523	2.1499		2.5310	3.4701	2.6963	2.9129	2.5312	3.4701	2.9133	2.6964	1.5025	2.0243
C6	3.0960	2.8005	4.0427	3.5412	2.5310		1.1042	1.1019	1.1035	2.5963	2.8881	2.8280	3.5402	1.5566	2.1856
H7	4.1444	3.8702	5.1157	4.4656	3.4701	1.1042		1.7928	1.7845	2.8880	2.7430	3.2165	3.8951	2.1927	2.5015
H8	3.3082	2.8934	4.0537	4.0312	2.6963	1.1019	1.7928		1.7952	3.5401	3.8951	3.8219	4.3593	2.1909	2.5371
H9	2.9275	2.3690	3.9386	3.2159	2.9129	1.1035	1.7845	1.7952		2.8281	3.2170	2.6114	3.8219	2.2148	3.1119
C10	3.0949	3.5386	4.0425	2.7997	2.5312	2.5963	2.8880	3.5401	2.8281		1.1042	1.1035	1.1020	1.5566	2.1856
H11	4.1436	4.4635	5.1156	3.8699	3.4701	2.8881	2.7430	3.8951	3.2170	1.1042		1.7845	1.7928	2.1926	2.5012
H12	2.9267	3.2125	3.9388	2.3696	2.9133	2.8280	3.2165	3.8219	2.6114	1.1035	1.7845		1.7952	2.2148	3.1119
H13	3.3063	4.0282	4.0531	2.8905	2.6964	3.5402	3.8951	4.3593	3.8219	1.1020	1.7928	1.7952		2.1909	2.5373
C14	2.5286	2.8347	3.4121	2.8352	1.5025	1.5566	2.1927	2.1909	2.2148	1.5566	2.1926	2.2148	2.1909		1.1012
H15	3.3745	3.7650	4.0765	3.7647	2.0243	2.1856	2.5015	2.5371	3.1119	2.1856	2.5012	3.1119	2.5373	1.1012

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C14	115.850	H2	C1	H3	109.568
H2	C1	H4	109.761	H2	C1	O5	111.660
H3	C1	H4	109.567	H3	C1	O5	104.488
H4	C1	O5	111.657	O5	C14	C6	111.649
O5	C14	C10	111.658	O5	C14	H15	100.932
C6	C14	C10	113.022	C6	C14	H15	109.442
H7	C6	H8	108.712	H7	C6	H9	107.860
H7	C6	C14	109.821	H8	C6	H9	108.972
H8	C6	C14	109.812	H9	C6	C14	111.598
C10	C14	H15	109.440	H11	C10	H12	107.860
H11	C10	H13	108.711	H11	C10	C14	109.817
H12	C10	H13	108.971	H12	C10	C14	111.600
H13	C10	C14	109.815

All results from a given calculation for C₄H₁₀O (Propane, 2-methoxy-)

using model chemistry: MP2/CEP-121G

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 (Propane, 2-methoxy-)

using model chemistry: MP2/CEP-121G

States and conformations

All results from a given calculation for C₄H₁₀O (Propane, 2-methoxy-)