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	hartrees
Energy at 0K	-232.921987
Energy at 298.15K	-232.933193
HF Energy	-232.152863
Nuclear repulsion energy	197.364127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3191	3040	37.52
2	A	3189	3038	10.40
3	A	3188	3036	4.27
4	A	3184	3033	60.48
5	A	3179	3028	0.49
6	A	3124	2976	62.75
7	A	3105	2958	20.51
8	A	3085	2939	11.32
9	A	3082	2935	11.05
10	A	3048	2903	46.28
11	A	1517	1445	13.58
12	A	1510	1438	1.14
13	A	1501	1430	2.34
14	A	1495	1424	5.88
15	A	1483	1413	0.17
16	A	1479	1409	0.90
17	A	1471	1401	1.43
18	A	1414	1347	20.27
19	A	1398	1331	24.62
20	A	1393	1326	0.23
21	A	1360	1295	1.45
22	A	1241	1182	57.20
23	A	1214	1156	95.49
24	A	1183	1127	3.15
25	A	1181	1125	2.52
26	A	1163	1108	14.17
27	A	1081	1029	26.68
28	A	943	898	11.97
29	A	939	895	0.00
30	A	918	874	0.11
31	A	801	763	8.49
32	A	550	524	1.69
33	A	416	396	9.16
34	A	367	350	1.02
35	A	314	300	0.61
36	A	274	261	1.71
37	A	272	259	0.06
38	A	189	180	1.69
39	A	47	45	2.43

Atom	x (Å)	y (Å)	z (Å)
C1	1.696	-0.000	0.414
H2	1.552	-0.896	1.048
H3	2.734	-0.002	0.048
H4	1.554	0.898	1.045
O5	0.870	-0.001	-0.734
C6	-1.003	-1.268	0.249
H7	-2.104	-1.326	0.232
H8	-0.598	-2.161	-0.254
H9	-0.685	-1.284	1.305
C10	-1.001	1.270	0.248
H11	-2.102	1.329	0.231
H12	-0.684	1.285	1.304
H13	-0.594	2.162	-0.255
C14	-0.536	0.000	-0.469
H15	-0.971	0.000	-1.483

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	H11	H12	H13	C14	H15
C1		1.1066	1.1002	1.1065	1.4149	2.9868	4.0290	3.2218	2.8482	2.9858	4.0283	2.8475	3.2201	2.4009	3.2740
H2	1.1066		1.7873	1.7945	2.1074	2.7027	3.7706	2.8137	2.2853	3.4421	4.3556	3.1342	3.9567	2.7320	3.6849
H3	1.1002	1.7873		1.7873	2.0212	3.9503	5.0189	3.9814	3.8615	3.9503	5.0189	3.8618	3.9810	3.3105	4.0092
H4	1.1065	1.7945	1.7873		2.1073	3.4448	4.3578	3.9597	3.1378	2.7022	3.7705	2.2860	2.8110	2.7326	3.6847
O5	1.4149	2.1074	2.0212	2.1073		2.4655	3.3959	2.6553	2.8672	2.4657	3.3959	2.8675	2.6554	1.4310	1.9881
C6	2.9868	2.7027	3.9503	3.4448	2.4655		1.1028	1.1021	1.1028	2.5379	2.8203	2.7814	3.4910	1.5301	2.1471
H7	4.0290	3.7706	5.0189	4.3578	3.3959	1.1028		1.7899	1.7792	2.8202	2.6548	3.1598	3.8316	2.1695	2.4459
H8	3.2218	2.8137	3.9814	3.9597	2.6553	1.1021	1.7899		1.7910	3.4910	3.8316	3.7835	4.3233	2.1730	2.5145
H9	2.8482	2.2853	3.8615	3.1378	2.8672	1.1028	1.7792	1.7910		2.7815	3.1603	2.5692	3.7835	2.1945	3.0828
C10	2.9858	3.4421	3.9503	2.7022	2.4657	2.5379	2.8202	3.4910	2.7815		1.1028	1.1028	1.1022	1.5301	2.1470
H11	4.0283	4.3556	5.0189	3.7705	3.3959	2.8203	2.6548	3.8316	3.1603	1.1028		1.7792	1.7899	2.1695	2.4457
H12	2.8475	3.1342	3.8618	2.2860	2.8675	2.7814	3.1598	3.7835	2.5692	1.1028	1.7792		1.7910	2.1945	3.0828
H13	3.2201	3.9567	3.9810	2.8110	2.6554	3.4910	3.8316	4.3233	3.7835	1.1022	1.7899	1.7910		2.1730	2.5147
C14	2.4009	2.7320	3.3105	2.7326	1.4310	1.5301	2.1695	2.1730	2.1945	1.5301	2.1695	2.1945	2.1730		1.1041
H15	3.2740	3.6849	4.0092	3.6847	1.9881	2.1471	2.4459	2.5145	3.0828	2.1470	2.4457	3.0828	2.5147	1.1041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C14	115.047	H2	C1	H3	108.181
H2	C1	H4	108.355	H2	C1	O5	112.821
H3	C1	H4	108.181	H3	C1	O5	106.282
H4	C1	O5	112.818	O5	C14	C6	112.697
O5	C14	C10	112.707	O5	C14	H15	102.533
C6	C14	C10	112.060	C6	C14	H15	108.101
H7	C6	H8	108.535	H7	C6	H9	107.542
H7	C6	C14	109.911	H8	C6	H9	108.636
H8	C6	C14	110.224	H9	C6	C14	111.895
C10	C14	H15	108.099	H11	C10	H12	107.543
H11	C10	H13	108.533	H11	C10	C14	109.908
H12	C10	H13	108.637	H12	C10	C14	111.896
H13	C10	C14	110.226

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

using model chemistry: MP2/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 (Propane, 2-methoxy-)

using model chemistry: MP2/cc-pVDZ

States and conformations

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