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	hartrees
Energy at 0K	-233.753395
Energy at 298.15K	-233.764481
HF Energy	-233.753395
Nuclear repulsion energy	197.442557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3104	3003	38.13
2	A	3101	3000	14.00
3	A	3099	2999	17.13
4	A	3095	2994	76.27
5	A	3086	2986	0.08
6	A	3037	2938	14.49
7	A	3037	2938	72.34
8	A	3034	2935	9.49
9	A	3026	2928	0.52
10	A	2991	2894	51.87
11	A	1513	1463	12.40
12	A	1509	1460	1.92
13	A	1501	1452	2.23
14	A	1497	1449	7.61
15	A	1486	1438	0.20
16	A	1483	1435	2.21
17	A	1469	1421	0.29
18	A	1413	1367	15.88
19	A	1396	1351	16.22
20	A	1394	1349	2.62
21	A	1368	1323	5.17
22	A	1226	1186	9.44
23	A	1186	1147	89.19
24	A	1177	1138	40.04
25	A	1172	1133	2.17
26	A	1134	1097	17.53
27	A	1053	1019	49.76
28	A	936	905	0.25
29	A	919	889	0.00
30	A	904	875	18.78
31	A	775	750	10.06
32	A	550	532	1.90
33	A	417	403	8.52
34	A	367	355	1.21
35	A	301	292	0.79
36	A	242	234	1.46
37	A	241	234	0.02
38	A	174	169	1.71
39	A	57	55	2.94

Atom	x (Å)	y (Å)	z (Å)
C1	1.726	-0.000	0.403
H2	1.597	-0.889	1.029
H3	2.742	-0.001	0.011
H4	1.598	0.890	1.028
O5	0.865	-0.001	-0.718
C6	-1.012	-1.270	0.247
H7	-2.102	-1.315	0.247
H8	-0.634	-2.154	-0.266
H9	-0.684	-1.305	1.287
C10	-1.011	1.270	0.247
H11	-2.101	1.316	0.246
H12	-0.683	1.305	1.287
H13	-0.632	2.154	-0.266
C14	-0.545	0.000	-0.462
H15	-0.968	0.000	-1.468

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	H11	H12	H13	C14	H15
C1		1.0947	1.0886	1.0947	1.4135	3.0225	4.0507	3.2646	2.8795	3.0220	4.0504	2.8792	3.2637	2.4299	3.2804
H2	1.0947		1.7703	1.7784	2.0923	2.7509	3.8052	2.8737	2.3331	3.4756	4.3765	3.1749	3.9888	2.7571	3.6892
H3	1.0886	1.7703		1.7703	2.0135	3.9697	5.0244	4.0135	3.8809	3.9697	5.0244	3.8812	4.0134	3.3203	3.9942
H4	1.0947	1.7784	1.7703		2.0923	3.4770	4.3776	3.9904	3.1767	2.7507	3.8053	2.3336	2.8723	2.7574	3.6891
O5	1.4135	2.0923	2.0135	2.0923		2.4630	3.3855	2.6625	2.8493	2.4630	3.3855	2.8495	2.6626	1.4327	1.9809
C6	3.0225	2.7509	3.9697	3.4770	2.4630		1.0908	1.0902	1.0910	2.5402	2.8059	2.7963	3.4833	1.5276	2.1346
H7	4.0507	3.8052	5.0244	4.3776	3.3855	1.0908		1.7674	1.7586	2.8058	2.6309	3.1555	3.8025	2.1580	2.4405
H8	3.2646	2.8737	4.0135	3.9904	2.6625	1.0902	1.7674		1.7708	3.4833	3.8025	3.7921	4.3086	2.1650	2.4895
H9	2.8795	2.3331	3.8809	3.1767	2.8493	1.0910	1.7586	1.7708		2.7964	3.1559	2.6097	3.7921	2.1862	3.0616
C10	3.0220	3.4756	3.9697	2.7507	2.4630	2.5402	2.8058	3.4833	2.7964		1.0908	1.0910	1.0902	1.5276	2.1346
H11	4.0504	4.3765	5.0244	3.8053	3.3855	2.8059	2.6309	3.8025	3.1559	1.0908		1.7586	1.7674	2.1579	2.4404
H12	2.8792	3.1749	3.8812	2.3336	2.8495	2.7963	3.1555	3.7921	2.6097	1.0910	1.7586		1.7708	2.1862	3.0616
H13	3.2637	3.9888	4.0134	2.8723	2.6626	3.4833	3.8025	4.3086	3.7921	1.0902	1.7674	1.7708		2.1650	2.4897
C14	2.4299	2.7571	3.3203	2.7574	1.4327	1.5276	2.1580	2.1650	2.1862	1.5276	2.1579	2.1862	2.1650		1.0919
H15	3.2804	3.6892	3.9942	3.6891	1.9809	2.1346	2.4405	2.4895	3.0616	2.1346	2.4404	3.0616	2.4897	1.0919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C14	117.239	H2	C1	H3	108.355
H2	C1	H4	108.633	H2	C1	O5	112.444
H3	C1	H4	108.356	H3	C1	O5	106.444
H4	C1	O5	112.442	O5	C14	C6	112.568
O5	C14	C10	112.573	O5	C14	H15	102.533
C6	C14	C10	112.491	C6	C14	H15	107.993
H7	C6	H8	108.263	H7	C6	H9	107.422
H7	C6	C14	109.881	H8	C6	H9	108.556
H8	C6	C14	110.471	H9	C6	C14	112.123
C10	C14	H15	107.993	H11	C10	H12	107.422
H11	C10	H13	108.262	H11	C10	C14	109.880
H12	C10	H13	108.556	H12	C10	C14	112.124
H13	C10	C14	110.473

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

using model chemistry: B3LYP/aug-cc-pVTZ

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: B3LYP/aug-cc-pVTZ

States and conformations

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