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	hartrees
Energy at 0K	-233.352326
Energy at 298.15K	-233.363297
Nuclear repulsion energy	196.537556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3076	3034	26.76
2	A	3075	3033	14.60
3	A	3066	3024	50.86
4	A	3060	3018	36.46
5	A	3059	3017	0.22
6	A	2988	2947	17.18
7	A	2985	2944	43.58
8	A	2981	2941	13.93
9	A	2972	2931	38.07
10	A	2922	2882	56.71
11	A	1479	1458	12.14
12	A	1472	1452	3.53
13	A	1462	1442	1.44
14	A	1461	1441	5.21
15	A	1446	1427	0.20
16	A	1441	1421	1.61
17	A	1428	1409	0.22
18	A	1371	1352	18.14
19	A	1354	1335	19.65
20	A	1350	1332	1.10
21	A	1316	1298	4.88
22	A	1190	1174	4.49
23	A	1157	1141	141.31
24	A	1144	1129	5.79
25	A	1140	1125	0.84
26	A	1112	1097	16.44
27	A	1041	1027	31.80
28	A	908	895	0.17
29	A	891	879	13.05
30	A	889	876	0.40
31	A	769	758	7.64
32	A	535	528	2.14
33	A	403	397	8.69
34	A	354	349	1.25
35	A	301	297	0.51
36	A	249	246	1.46
37	A	241	237	0.07
38	A	180	177	1.43
39	A	59	58	2.66

Atom	x (Å)	y (Å)	z (Å)
C1	1.713	-0.000	0.412
H2	1.580	-0.897	1.049
H3	2.746	-0.001	0.031
H4	1.581	0.898	1.047
O5	0.872	-0.001	-0.732
C6	-1.010	-1.275	0.248
H7	-2.111	-1.326	0.254
H8	-0.626	-2.169	-0.269
H9	-0.675	-1.308	1.298
C10	-1.009	1.276	0.247
H11	-2.110	1.328	0.254
H12	-0.674	1.309	1.298
H13	-0.624	2.169	-0.270
C14	-0.542	0.000	-0.466
H15	-0.974	0.000	-1.484

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	H11	H12	H13	C14	H15
C1		1.1085	1.1009	1.1085	1.4194	3.0118	4.0511	3.2615	2.8636	3.0113	4.0508	2.8633	3.2606	2.4205	3.2884
H2	1.1085		1.7888	1.7956	2.1156	2.7376	3.8003	2.8670	2.3055	3.4742	4.3822	3.1639	3.9997	2.7578	3.7071
H3	1.1009	1.7888		1.7888	2.0233	3.9727	5.0402	4.0199	3.8754	3.9728	5.0402	3.8756	4.0197	3.3262	4.0167
H4	1.1085	1.7956	1.7888		2.1156	3.4755	4.3832	4.0013	3.1657	2.7374	3.8003	2.3060	2.8655	2.7581	3.7070
O5	1.4194	2.1156	2.0233	2.1156		2.4756	3.4106	2.6756	2.8676	2.4756	3.4106	2.8678	2.6756	1.4396	1.9935
C6	3.0118	2.7376	3.9727	3.4755	2.4756		1.1023	1.1014	1.1029	2.5511	2.8261	2.8094	3.5040	1.5345	2.1509
H7	4.0511	3.8003	5.0402	4.3832	3.4106	1.1023		1.7861	1.7757	2.8259	2.6542	3.1778	3.8344	2.1769	2.4646
H8	3.2615	2.8670	4.0199	4.0013	2.6756	1.1014	1.7861		1.7883	3.5040	3.8344	3.8145	4.3374	2.1791	2.5099
H9	2.8636	2.3055	3.8754	3.1657	2.8676	1.1029	1.7757	1.7883		2.8096	3.1783	2.6173	3.8145	2.2001	3.0886
C10	3.0113	3.4742	3.9728	2.7374	2.4756	2.5511	2.8259	3.5040	2.8096		1.1023	1.1029	1.1014	1.5345	2.1509
H11	4.0508	4.3822	5.0402	3.8003	3.4106	2.8261	2.6542	3.8344	3.1783	1.1023		1.7757	1.7861	2.1769	2.4644
H12	2.8633	3.1639	3.8756	2.3060	2.8678	2.8094	3.1778	3.8145	2.6173	1.1029	1.7757		1.7884	2.2001	3.0886
H13	3.2606	3.9997	4.0197	2.8655	2.6756	3.5040	3.8344	4.3374	3.8145	1.1014	1.7861	1.7884		2.1791	2.5100
C14	2.4205	2.7578	3.3262	2.7581	1.4396	1.5345	2.1769	2.1791	2.2001	1.5345	2.1769	2.2001	2.1791		1.1055
H15	3.2884	3.7071	4.0167	3.7070	1.9935	2.1509	2.4646	2.5099	3.0886	2.1509	2.4644	3.0886	2.5100	1.1055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C14	115.697	H2	C1	H3	108.113
H2	C1	H4	108.177	H2	C1	O5	113.054
H3	C1	H4	108.113	H3	C1	O5	106.107
H4	C1	O5	113.053	O5	C14	C6	112.651
O5	C14	C10	112.656	O5	C14	H15	102.323
C6	C14	C10	112.459	C6	C14	H15	108.021
H7	C6	H8	108.290	H7	C6	H9	107.273
H7	C6	C14	110.225	H8	C6	H9	108.446
H8	C6	C14	110.447	H9	C6	C14	112.031
C10	C14	H15	108.020	H11	C10	H12	107.273
H11	C10	H13	108.289	H11	C10	C14	110.224
H12	C10	H13	108.446	H12	C10	C14	112.032
H13	C10	C14	110.448

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

using model chemistry: PBEPBE/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	-0.131
2	H	0.102
3	H	0.128
4	H	0.102
5	O	-0.434
6	C	-0.374
7	H	0.119
8	H	0.131
9	H	0.118
10	C	-0.374
11	H	0.119
12	H	0.118
13	H	0.131
14	C	0.129
15	H	0.113

	x	y	z	Total
	-0.587	0.001	1.082	1.231
CHELPG
AIM
ESP

	x	y	z
x	8.161	0.000	0.270
y	0.000	7.221	0.000
z	0.270	0.000	6.580

<r²>	135.075
(<r²>)^1/2	11.622

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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