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	hartrees
Energy at 0K	-233.667944
Energy at 298.15K
HF Energy	-233.667944
Nuclear repulsion energy	198.358787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3149	3008	37.81
2	A	3147	3005	16.29
3	A	3147	3005	13.05
4	A	3136	2995	79.01
5	A	3127	2987	0.86
6	A	3088	2949	11.41
7	A	3069	2931	72.71
8	A	3060	2923	14.19
9	A	3055	2917	2.00
10	A	3013	2877	46.79
11	A	1518	1450	6.83
12	A	1510	1442	10.78
13	A	1504	1436	2.74
14	A	1499	1431	6.76
15	A	1490	1422	0.00
16	A	1484	1417	2.81
17	A	1475	1409	0.86
18	A	1430	1365	25.19
19	A	1412	1348	1.49
20	A	1408	1345	24.58
21	A	1365	1304	3.05
22	A	1242	1186	55.38
23	A	1217	1162	104.16
24	A	1187	1133	5.26
25	A	1178	1125	1.97
26	A	1148	1096	17.73
27	A	1086	1037	30.76
28	A	940	898	0.10
29	A	932	890	16.82
30	A	931	889	0.10
31	A	798	762	8.66
32	A	559	533	1.83
33	A	429	410	10.00
34	A	378	361	0.94
35	A	316	301	0.79
36	A	247	236	2.49
37	A	238	228	0.04
38	A	152	145	2.47
39	A	83i	79i	2.04

Atom	x (Å)	y (Å)	z (Å)
C1	1.715	-0.000	0.406
H2	1.579	-0.890	1.030
H3	2.734	-0.002	0.021
H4	1.581	0.891	1.028
O5	0.866	-0.001	-0.718
C6	-1.009	-1.266	0.246
H7	-2.099	-1.320	0.227
H8	-0.612	-2.151	-0.253
H9	-0.698	-1.286	1.292
C10	-1.008	1.267	0.245
H11	-2.098	1.322	0.227
H12	-0.697	1.287	1.292
H13	-0.609	2.151	-0.254
C14	-0.539	0.000	-0.462
H15	-0.962	0.000	-1.469

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	H11	H12	H13	C14	H15
C1		1.0953	1.0890	1.0953	1.4090	3.0082	4.0401	3.2364	2.8747	3.0075	4.0396	2.8742	3.2352	2.4151	3.2681
H2	1.0953		1.7719	1.7813	2.0871	2.7305	3.7893	2.8348	2.3264	3.4583	4.3656	3.1606	3.9606	2.7393	3.6732
H3	1.0890	1.7719		1.7719	2.0097	3.9573	5.0140	3.9862	3.8788	3.9573	5.0141	3.8791	3.9861	3.3083	3.9852
H4	1.0953	1.7813	1.7719		2.0870	3.4602	4.3672	3.9628	3.1632	2.7302	3.7893	2.3270	2.8329	2.7397	3.6731
O5	1.4090	2.0871	2.0097	2.0870		2.4585	3.3799	2.6500	2.8530	2.4586	3.3799	2.8532	2.6501	1.4274	1.9756
C6	3.0082	2.7305	3.9573	3.4602	2.4585		1.0915	1.0909	1.0919	2.5328	2.8079	2.7766	3.4767	1.5248	2.1316
H7	4.0401	3.7893	5.0140	4.3672	3.3799	1.0915		1.7702	1.7600	2.8078	2.6423	3.1457	3.8082	2.1571	2.4314
H8	3.2364	2.8348	3.9862	3.9628	2.6500	1.0909	1.7702		1.7728	3.4767	3.8082	3.7702	4.3025	2.1626	2.4957
H9	2.8747	2.3264	3.8788	3.1632	2.8530	1.0919	1.7600	1.7728		2.7767	3.1461	2.5732	3.7702	2.1812	3.0571
C10	3.0075	3.4583	3.9573	2.7302	2.4586	2.5328	2.8078	3.4767	2.7767		1.0915	1.0919	1.0909	1.5248	2.1316
H11	4.0396	4.3656	5.0141	3.7893	3.3799	2.8079	2.6423	3.8082	3.1461	1.0915		1.7600	1.7702	2.1570	2.4313
H12	2.8742	3.1606	3.8791	2.3270	2.8532	2.7766	3.1457	3.7702	2.5732	1.0919	1.7600		1.7728	2.1812	3.0571
H13	3.2352	3.9606	3.9861	2.8329	2.6501	3.4767	3.8082	4.3025	3.7702	1.0909	1.7702	1.7728		2.1626	2.4958
C14	2.4151	2.7393	3.3083	2.7397	1.4274	1.5248	2.1571	2.1626	2.1812	1.5248	2.1570	2.1812	2.1626		1.0919
H15	3.2681	3.6732	3.9852	3.6731	1.9756	2.1316	2.4314	2.4957	3.0571	2.1316	2.4313	3.0571	2.4958	1.0919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C14	116.744	H2	C1	H3	108.427
H2	C1	H4	108.814	H2	C1	O5	112.297
H3	C1	H4	108.427	H3	C1	O5	106.426
H4	C1	O5	112.293	O5	C14	C6	112.724
O5	C14	C10	112.729	O5	C14	H15	102.476
C6	C14	C10	112.306	C6	C14	H15	107.955
H7	C6	H8	108.414	H7	C6	H9	107.431
H7	C6	C14	109.962	H8	C6	H9	108.619
H8	C6	C14	110.437	H9	C6	C14	111.867
C10	C14	H15	107.956	H11	C10	H12	107.431
H11	C10	H13	108.413	H11	C10	C14	109.961
H12	C10	H13	108.619	H12	C10	C14	111.867
H13	C10	C14	110.439

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	-0.204
2	H	0.103
3	H	0.134
4	H	0.103
5	O	-0.279
6	C	-0.429
7	H	0.125
8	H	0.143
9	H	0.120
10	C	-0.429
11	H	0.125
12	H	0.120
13	H	0.143
14	C	0.092
15	H	0.131

	x	y	z	Total
	-0.686	0.003	1.241	1.418
CHELPG
AIM
ESP

	x	y	z
x	8.459	0.000	0.198
y	0.000	7.843	-0.000
z	0.198	-0.000	7.163

<r²>	133.250
(<r²>)^1/2	11.543

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

using model chemistry: wB97X-D/TZVP

States and conformations

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