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	hartrees
Energy at 0K	-233.595501
Energy at 298.15K	-233.606637
Nuclear repulsion energy	198.201678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3167	3003	37.41
2	A	3165	3002	14.93
3	A	3163	3000	16.40
4	A	3157	2994	75.92
5	A	3150	2987	0.09
6	A	3091	2931	78.41
7	A	3089	2929	19.94
8	A	3081	2922	10.52
9	A	3075	2916	3.60
10	A	3034	2877	49.69
11	A	1549	1469	14.22
12	A	1544	1464	1.91
13	A	1536	1457	2.24
14	A	1530	1451	6.59
15	A	1517	1438	0.10
16	A	1514	1436	1.81
17	A	1501	1424	0.53
18	A	1444	1369	22.14
19	A	1427	1353	22.66
20	A	1419	1346	0.97
21	A	1382	1311	4.21
22	A	1254	1189	66.27
23	A	1233	1169	103.67
24	A	1198	1136	5.81
25	A	1195	1133	1.78
26	A	1162	1102	16.49
27	A	1099	1042	25.90
28	A	949	900	0.05
29	A	942	893	13.87
30	A	930	882	0.47
31	A	805	764	7.39
32	A	555	526	2.23
33	A	420	398	9.42
34	A	366	347	1.27
35	A	310	294	0.65
36	A	262	248	1.59
37	A	252	239	0.06
38	A	181	172	1.71
39	A	51	49	2.98

Atom	x (Å)	y (Å)	z (Å)
C1	1.702	-0.000	0.405
H2	1.569	-0.890	1.035
H3	2.725	-0.002	0.024
H4	1.571	0.892	1.032
O5	0.863	-0.001	-0.720
C6	-1.003	-1.266	0.246
H7	-2.096	-1.319	0.242
H8	-0.614	-2.153	-0.262
H9	-0.680	-1.295	1.291
C10	-1.001	1.268	0.246
H11	-2.094	1.323	0.240
H12	-0.678	1.296	1.291
H13	-0.610	2.154	-0.262
C14	-0.536	0.000	-0.464
H15	-0.964	0.000	-1.472

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	H11	H12	H13	C14	H15
C1		1.0985	1.0920	1.0985	1.4037	2.9913	4.0242	3.2320	2.8522	2.9902	4.0235	2.8517	3.2297	2.4007	3.2610
H2	1.0985		1.7744	1.7824	2.0904	2.7168	3.7747	2.8363	2.2990	3.4477	4.3530	3.1459	3.9619	2.7333	3.6740
H3	1.0920	1.7744		1.7744	2.0059	3.9435	5.0030	3.9828	3.8564	3.9433	5.0029	3.8570	3.9817	3.2974	3.9815
H4	1.0985	1.7824	1.7744		2.0903	3.4503	4.3549	3.9654	3.1493	2.7160	3.7744	2.3000	2.8326	2.7337	3.6737
O5	1.4037	2.0904	2.0059	2.0903		2.4525	3.3786	2.6499	2.8455	2.4526	3.3786	2.8462	2.6497	1.4212	1.9757
C6	2.9913	2.7168	3.9435	3.4503	2.4525		1.0942	1.0935	1.0946	2.5341	2.8097	2.7866	3.4799	1.5256	2.1352
H7	4.0242	3.7747	5.0030	4.3549	3.3786	1.0942		1.7733	1.7635	2.8092	2.6422	3.1549	3.8110	2.1620	2.4413
H8	3.2320	2.8363	3.9828	3.9654	2.6499	1.0935	1.7733		1.7754	3.4799	3.8111	3.7834	4.3069	2.1642	2.4950
H9	2.8522	2.2990	3.8564	3.1493	2.8455	1.0946	1.7635	1.7754		2.7870	3.1564	2.5918	3.7835	2.1866	3.0656
C10	2.9902	3.4477	3.9433	2.7160	2.4526	2.5341	2.8092	3.4799	2.7870		1.0942	1.0946	1.0935	1.5256	2.1352
H11	4.0235	4.3530	5.0029	3.7744	3.3786	2.8097	2.6422	3.8111	3.1564	1.0942		1.7635	1.7733	2.1620	2.4408
H12	2.8517	3.1459	3.8570	2.3000	2.8462	2.7866	3.1549	3.7834	2.5918	1.0946	1.7635		1.7755	2.1867	3.0656
H13	3.2297	3.9619	3.9817	2.8326	2.6497	3.4799	3.8110	4.3069	3.7835	1.0935	1.7733	1.7755		2.1643	2.4954
C14	2.4007	2.7333	3.2974	2.7337	1.4212	1.5256	2.1620	2.1642	2.1866	1.5256	2.1620	2.1867	2.1643		1.0954
H15	3.2610	3.6740	3.9815	3.6737	1.9757	2.1352	2.4413	2.4950	3.0656	2.1352	2.4408	3.0656	2.4954	1.0954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C14	116.382	H2	C1	H3	108.202
H2	C1	H4	108.440	H2	C1	O5	112.747
H3	C1	H4	108.203	H3	C1	O5	106.308
H4	C1	O5	112.743	O5	C14	C6	112.613
O5	C14	C10	112.623	O5	C14	H15	102.678
C6	C14	C10	112.309	C6	C14	H15	107.977
H7	C6	H8	108.307	H7	C6	H9	107.351
H7	C6	C14	110.145	H8	C6	H9	108.466
H8	C6	C14	110.362	H9	C6	C14	112.084
C10	C14	H15	107.976	H11	C10	H12	107.352
H11	C10	H13	108.304	H11	C10	C14	110.142
H12	C10	H13	108.468	H12	C10	C14	112.087
H13	C10	C14	110.363

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

using model chemistry: mPW1PW91/6-31G*

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	-0.267
2	H	0.152
3	H	0.182
4	H	0.152
5	O	-0.473
6	C	-0.539
7	H	0.172
8	H	0.185
9	H	0.168
10	C	-0.539
11	H	0.172
12	H	0.168
13	H	0.185
14	C	0.113
15	H	0.168

	x	y	z	Total
	-0.589	0.002	1.157	1.298
CHELPG
AIM
ESP

<r²>	133.153
(<r²>)^1/2	11.539

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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