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	hartrees
Energy at 0K	-233.648027
Energy at 298.15K
HF Energy	-233.648027
Nuclear repulsion energy	198.220891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3141	3004	47.66
2	A	3139	3002	11.00
3	A	3138	3002	17.24
4	A	3127	2991	85.68
5	A	3118	2983	0.98
6	A	3079	2945	11.86
7	A	3060	2927	81.42
8	A	3051	2918	15.53
9	A	3045	2913	2.61
10	A	3004	2874	48.15
11	A	1516	1450	7.22
12	A	1508	1442	10.15
13	A	1502	1436	3.25
14	A	1496	1431	7.41
15	A	1488	1423	0.01
16	A	1481	1416	2.48
17	A	1473	1409	0.49
18	A	1427	1365	21.98
19	A	1406	1345	4.25
20	A	1403	1342	27.72
21	A	1361	1302	2.30
22	A	1243	1189	73.96
23	A	1217	1164	92.87
24	A	1183	1131	4.73
25	A	1176	1125	2.47
26	A	1147	1097	17.02
27	A	1087	1039	27.48
28	A	937	896	0.06
29	A	933	892	15.95
30	A	925	885	0.21
31	A	798	763	7.93
32	A	557	533	2.13
33	A	426	408	9.81
34	A	374	358	1.07
35	A	314	300	0.69
36	A	246	235	2.44
37	A	237	227	0.04
38	A	158	151	2.07
39	A	77i	74i	2.16

Atom	x (Å)	y (Å)	z (Å)
C1	1.716	-0.000	0.405
H2	1.583	-0.891	1.031
H3	2.735	-0.002	0.016
H4	1.585	0.893	1.029
O5	0.865	-0.001	-0.717
C6	-1.010	-1.269	0.245
H7	-2.101	-1.329	0.221
H8	-0.604	-2.152	-0.253
H9	-0.704	-1.289	1.295
C10	-1.009	1.270	0.245
H11	-2.100	1.331	0.220
H12	-0.703	1.290	1.295
H13	-0.602	2.153	-0.253
C14	-0.539	0.000	-0.461
H15	-0.959	0.000	-1.470

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	H11	H12	H13	C14	H15
C1		1.0968	1.0901	1.0968	1.4090	3.0116	4.0465	3.2328	2.8834	3.0110	4.0461	2.8829	3.2316	2.4158	3.2672
H2	1.0968		1.7738	1.7838	2.0894	2.7360	3.7979	2.8326	2.3371	3.4651	4.3773	3.1711	3.9609	2.7427	3.6759
H3	1.0901	1.7738		1.7738	2.0090	3.9604	5.0193	3.9812	3.8887	3.9604	5.0193	3.8889	3.9811	3.3084	3.9819
H4	1.0968	1.7838	1.7738		2.0893	3.4670	4.3790	3.9631	3.1737	2.7357	3.7979	2.3377	2.8308	2.7432	3.6758
O5	1.4090	2.0894	2.0090	2.0893		2.4599	3.3826	2.6465	2.8588	2.4600	3.3827	2.8590	2.6466	1.4269	1.9731
C6	3.0116	2.7360	3.9604	3.4670	2.4599		1.0931	1.0923	1.0934	2.5387	2.8191	2.7825	3.4817	1.5268	2.1344
H7	4.0465	3.7979	5.0193	4.3790	3.3826	1.0931		1.7729	1.7625	2.8190	2.6597	3.1567	3.8201	2.1615	2.4352
H8	3.2328	2.8326	3.9812	3.9631	2.6465	1.0923	1.7729		1.7749	3.4817	3.8201	3.7753	4.3050	2.1635	2.4982
H9	2.8834	2.3371	3.8887	3.1737	2.8588	1.0934	1.7625	1.7749		2.7827	3.1570	2.5790	3.7753	2.1845	3.0615
C10	3.0110	3.4651	3.9604	2.7357	2.4600	2.5387	2.8190	3.4817	2.7827		1.0931	1.0934	1.0923	1.5268	2.1344
H11	4.0461	4.3773	5.0193	3.7979	3.3827	2.8191	2.6597	3.8201	3.1570	1.0931		1.7625	1.7729	2.1614	2.4351
H12	2.8829	3.1711	3.8889	2.3377	2.8590	2.7825	3.1567	3.7753	2.5790	1.0934	1.7625		1.7749	2.1845	3.0614
H13	3.2316	3.9609	3.9811	2.8308	2.6466	3.4817	3.8201	4.3050	3.7753	1.0923	1.7729	1.7749		2.1635	2.4984
C14	2.4158	2.7427	3.3084	2.7432	1.4269	1.5268	2.1615	2.1635	2.1845	1.5268	2.1614	2.1845	2.1635		1.0933
H15	3.2672	3.6759	3.9819	3.6758	1.9731	2.1344	2.4352	2.4982	3.0615	2.1344	2.4351	3.0614	2.4984	1.0933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C14	116.819	H2	C1	H3	108.403
H2	C1	H4	108.809	H2	C1	O5	112.382
H3	C1	H4	108.403	H3	C1	O5	106.301
H4	C1	O5	112.378	O5	C14	C6	112.731
O5	C14	C10	112.737	O5	C14	H15	102.240
C6	C14	C10	112.482	C6	C14	H15	107.957
H7	C6	H8	108.440	H7	C6	H9	107.434
H7	C6	C14	110.080	H8	C6	H9	108.593
H8	C6	C14	110.287	H9	C6	C14	111.899
C10	C14	H15	107.958	H11	C10	H12	107.434
H11	C10	H13	108.439	H11	C10	C14	110.079
H12	C10	H13	108.593	H12	C10	C14	111.899
H13	C10	C14	110.288

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

using model chemistry: wB97X-D/6-311G**

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	-0.132
2	H	0.095
3	H	0.124
4	H	0.095
5	O	-0.357
6	C	-0.330
7	H	0.119
8	H	0.132
9	H	0.110
10	C	-0.330
11	H	0.119
12	H	0.110
13	H	0.132
14	C	-0.009
15	H	0.120

	x	y	z	Total
	-0.591	0.002	1.165	1.306
CHELPG
AIM
ESP

	x	y	z
x	8.178	0.000	0.241
y	0.000	7.507	-0.000
z	0.241	-0.000	6.798

<r²>	133.355
(<r²>)^1/2	11.548

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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