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	hartrees
Energy at 0K	-232.168407
Energy at 298.15K	-232.179857
Nuclear repulsion energy	198.328515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3262	2971	48.30
2	A	3249	2959	63.21
3	A	3245	2955	22.91
4	A	3243	2953	114.62
5	A	3232	2943	8.90
6	A	3212	2925	72.24
7	A	3204	2917	3.41
8	A	3175	2891	25.63
9	A	3166	2883	17.32
10	A	3156	2874	42.97
11	A	1614	1470	2.61
12	A	1609	1465	8.53
13	A	1606	1462	3.62
14	A	1595	1453	5.82
15	A	1586	1444	0.44
16	A	1583	1441	0.14
17	A	1578	1437	1.36
18	A	1534	1397	23.84
19	A	1519	1383	20.55
20	A	1505	1370	0.51
21	A	1471	1340	1.41
22	A	1343	1223	100.18
23	A	1307	1190	95.36
24	A	1270	1156	5.45
25	A	1265	1152	4.89
26	A	1225	1115	16.00
27	A	1154	1051	42.49
28	A	1005	915	0.02
29	A	997	908	19.00
30	A	986	898	0.01
31	A	837	762	9.56
32	A	592	539	2.02
33	A	449	409	10.20
34	A	395	360	1.25
35	A	326	297	0.86
36	A	281	256	0.01
37	A	277	252	1.64
38	A	187	171	2.46
39	A	42	38	2.79

Atom	x (Å)	y (Å)	z (Å)
C1	1.722	-0.000	0.394
H2	1.599	-0.887	1.020
H3	2.733	-0.002	-0.006
H4	1.602	0.889	1.017
O5	0.856	-0.001	-0.703
C6	-1.010	-1.269	0.246
H7	-2.099	-1.312	0.233
H8	-0.626	-2.152	-0.265
H9	-0.692	-1.304	1.288
C10	-1.008	1.270	0.245
H11	-2.097	1.315	0.232
H12	-0.690	1.305	1.288
H13	-0.622	2.152	-0.266
C14	-0.537	0.000	-0.460
H15	-0.961	0.000	-1.464

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	H11	H12	H13	C14	H15
C1		1.0918	1.0873	1.0918	1.3978	3.0153	4.0434	3.2524	2.8854	3.0143	4.0427	2.8847	3.2504	2.4149	3.2633
H2	1.0918		1.7662	1.7754	2.0748	2.7481	3.8054	2.8644	2.3443	3.4709	4.3743	3.1809	3.9779	2.7459	3.6755
H3	1.0873	1.7662		1.7662	2.0025	3.9591	5.0124	3.9967	3.8858	3.9590	5.0124	3.8861	3.9961	3.3012	3.9710
H4	1.0918	1.7754	1.7662		2.0747	3.4737	4.3765	3.9813	3.1846	2.7474	3.8052	2.3451	2.8612	2.7464	3.6752
O5	1.3978	2.0748	2.0025	2.0747		2.4466	3.3655	2.6484	2.8385	2.4467	3.3655	2.8389	2.6484	1.4134	1.9694
C6	3.0153	2.7481	3.9591	3.4737	2.4466		1.0908	1.0898	1.0905	2.5386	2.8035	2.7951	3.4806	1.5270	2.1296
H7	4.0434	3.8054	5.0124	4.3765	3.3655	1.0908		1.7673	1.7593	2.8032	2.6270	3.1539	3.7987	2.1549	2.4285
H8	3.2524	2.8644	3.9967	3.9813	2.6484	1.0898	1.7673		1.7706	3.4805	3.7988	3.7902	4.3042	2.1627	2.4861
H9	2.8854	2.3443	3.8858	3.1846	2.8385	1.0905	1.7593	1.7706		2.7953	3.1548	2.6093	3.7903	2.1869	3.0575
C10	3.0143	3.4709	3.9590	2.7474	2.4467	2.5386	2.8032	3.4805	2.7953		1.0908	1.0905	1.0898	1.5270	2.1296
H11	4.0427	4.3743	5.0124	3.8052	3.3655	2.8035	2.6270	3.7988	3.1548	1.0908		1.7593	1.7673	2.1549	2.4283
H12	2.8847	3.1809	3.8861	2.3451	2.8389	2.7951	3.1539	3.7902	2.6093	1.0905	1.7593		1.7706	2.1869	3.0575
H13	3.2504	3.9779	3.9961	2.8612	2.6484	3.4806	3.7987	4.3042	3.7903	1.0898	1.7673	1.7706		2.1627	2.4864
C14	2.4149	2.7459	3.3012	2.7464	1.4134	1.5270	2.1549	2.1627	2.1869	1.5270	2.1549	2.1869	2.1627		1.0895
H15	3.2633	3.6755	3.9710	3.6752	1.9694	2.1296	2.4285	2.4861	3.0575	2.1296	2.4283	3.0575	2.4864	1.0895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C14	118.412	H2	C1	H3	108.286
H2	C1	H4	108.786	H2	C1	O5	112.308
H3	C1	H4	108.286	H3	C1	O5	106.703
H4	C1	O5	112.306	O5	C14	C6	112.560
O5	C14	C10	112.569	O5	C14	H15	103.016
C6	C14	C10	112.451	C6	C14	H15	107.788
H7	C6	H8	108.288	H7	C6	H9	107.522
H7	C6	C14	109.687	H8	C6	H9	108.605
H8	C6	C14	110.358	H9	C6	C14	112.261
C10	C14	H15	107.789	H11	C10	H12	107.522
H11	C10	H13	108.285	H11	C10	C14	109.686
H12	C10	H13	108.607	H12	C10	C14	112.260
H13	C10	C14	110.360

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

using model chemistry: HF/aug-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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Number	Element	Mulliken
1	C	0.902
2	H	-0.110
3	H	-0.239
4	H	-0.110
5	O	-0.993
6	C	0.668
7	H	-0.084
8	H	-0.053
9	H	-0.073
10	C	0.668
11	H	-0.084
12	H	-0.072
13	H	-0.052
14	C	-0.079
15	H	-0.289

	x	y	z	Total
	-0.646	0.002	1.205	1.367
CHELPG
AIM
ESP

<r²>	134.160
(<r²>)^1/2	11.583

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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