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	hartrees
Energy at 0K	-233.690759
Energy at 298.15K	-233.701748
HF Energy	-233.690759
Nuclear repulsion energy	197.393550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3117	3008	42.29
2	A	3114	3005	18.23
3	A	3110	3001	19.58
4	A	3106	2997	85.59
5	A	3099	2991	0.06
6	A	3038	2931	19.39
7	A	3035	2929	11.30
8	A	3035	2928	83.98
9	A	3027	2921	3.90
10	A	2982	2877	51.29
11	A	1525	1471	10.82
12	A	1521	1468	1.30
13	A	1511	1459	1.48
14	A	1507	1455	4.27
15	A	1495	1442	0.03
16	A	1491	1438	1.27
17	A	1474	1423	0.39
18	A	1413	1364	13.49
19	A	1395	1346	11.48
20	A	1393	1344	2.81
21	A	1359	1312	6.45
22	A	1231	1187	8.67
23	A	1187	1145	127.14
24	A	1178	1137	9.23
25	A	1175	1134	2.42
26	A	1133	1093	16.24
27	A	1060	1023	41.45
28	A	927	894	0.13
29	A	910	878	15.61
30	A	907	876	0.08
31	A	779	752	7.23
32	A	535	517	1.81
33	A	401	387	7.71
34	A	348	336	0.93
35	A	295	285	0.53
36	A	246	237	1.34
37	A	236	227	0.04
38	A	171	165	1.17
39	A	51	49	2.46

Atom	x (Å)	y (Å)	z (Å)
C1	1.701	-0.000	0.411
H2	1.560	-0.892	1.039
H3	2.727	-0.001	0.033
H4	1.561	0.893	1.037
O5	0.866	-0.001	-0.728
C6	-1.002	-1.273	0.248
H7	-2.096	-1.324	0.255
H8	-0.618	-2.159	-0.265
H9	-0.665	-1.301	1.291
C10	-1.001	1.273	0.248
H11	-2.095	1.325	0.255
H12	-0.664	1.301	1.290
H13	-0.616	2.160	-0.265
C14	-0.541	0.000	-0.469
H15	-0.968	0.000	-1.478

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	H11	H12	H13	C14	H15
C1		1.0999	1.0930	1.0999	1.4124	2.9924	4.0244	3.2400	2.8399	2.9919	4.0240	2.8395	3.2390	2.4087	3.2706
H2	1.0999		1.7796	1.7852	2.0971	2.7083	3.7640	2.8372	2.2764	3.4460	4.3464	3.1340	3.9685	2.7357	3.6778
H3	1.0930	1.7796		1.7796	2.0107	3.9457	5.0058	3.9916	3.8439	3.9457	5.0058	3.8441	3.9914	3.3061	3.9923
H4	1.0999	1.7852	1.7796		2.0971	3.4474	4.3476	3.9702	3.1359	2.7080	3.7640	2.2769	2.8357	2.7361	3.6777
O5	1.4124	2.0971	2.0107	2.0971		2.4616	3.3893	2.6598	2.8472	2.4617	3.3893	2.8474	2.6598	1.4300	1.9816
C6	2.9924	2.7083	3.9457	3.4474	2.4616		1.0951	1.0942	1.0956	2.5463	2.8186	2.7973	3.4921	1.5323	2.1456
H7	4.0244	3.7640	5.0058	4.3476	3.3893	1.0951		1.7760	1.7663	2.8185	2.6488	3.1639	3.8202	2.1668	2.4554
H8	3.2400	2.8372	3.9916	3.9702	2.6598	1.0942	1.7760		1.7775	3.4921	3.8202	3.7942	4.3189	2.1704	2.5017
H9	2.8399	2.2764	3.8439	3.1359	2.8472	1.0956	1.7663	1.7775		2.7974	3.1642	2.6017	3.7942	2.1917	3.0742
C10	2.9919	3.4460	3.9457	2.7080	2.4617	2.5463	2.8185	3.4921	2.7974		1.0951	1.0956	1.0942	1.5323	2.1456
H11	4.0240	4.3464	5.0058	3.7640	3.3893	2.8186	2.6488	3.8202	3.1642	1.0951		1.7663	1.7760	2.1668	2.4553
H12	2.8395	3.1340	3.8441	2.2769	2.8474	2.7973	3.1639	3.7942	2.6017	1.0956	1.7663		1.7775	2.1917	3.0742
H13	3.2390	3.9685	3.9914	2.8357	2.6598	3.4921	3.8202	4.3189	3.7942	1.0942	1.7760	1.7775		2.1704	2.5018
C14	2.4087	2.7357	3.3061	2.7361	1.4300	1.5323	2.1668	2.1704	2.1917	1.5323	2.1668	2.1917	2.1704		1.0961
H15	3.2706	3.6778	3.9923	3.6777	1.9816	2.1456	2.4554	2.5017	3.0742	2.1456	2.4553	3.0742	2.5018	1.0961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C14	115.860	H2	C1	H3	108.489
H2	C1	H4	108.491	H2	C1	O5	112.584
H3	C1	H4	108.489	H3	C1	O5	106.042
H4	C1	O5	112.582	O5	C14	C6	112.353
O5	C14	C10	112.358	O5	C14	H15	102.536
C6	C14	C10	112.385	C6	C14	H15	108.292
H7	C6	H8	108.431	H7	C6	H9	107.468
H7	C6	C14	110.000	H8	C6	H9	108.533
H8	C6	C14	110.342	H9	C6	C14	111.956
C10	C14	H15	108.292	H11	C10	H12	107.468
H11	C10	H13	108.430	H11	C10	C14	109.999
H12	C10	H13	108.533	H12	C10	C14	111.957
H13	C10	C14	110.343

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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