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	hartrees
Energy at 0K	-233.626929
Energy at 298.15K
Nuclear repulsion energy	195.615361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3027	3018	55.48
2	A	3025	3016	3.34
3	A	3024	3015	19.36
4	A	3019	3010	82.73
5	A	3010	3001	0.10
6	A	2964	2955	18.20
7	A	2960	2951	49.53
8	A	2957	2948	9.01
9	A	2946	2937	33.71
10	A	2909	2901	56.08
11	A	1477	1473	12.04
12	A	1473	1468	2.82
13	A	1463	1458	6.09
14	A	1462	1458	0.92
15	A	1451	1446	0.05
16	A	1446	1442	2.57
17	A	1428	1424	0.16
18	A	1375	1371	10.36
19	A	1357	1353	10.68
20	A	1353	1349	4.18
21	A	1327	1323	8.62
22	A	1187	1184	2.71
23	A	1144	1140	3.57
24	A	1135	1131	1.61
25	A	1126	1123	97.06
26	A	1093	1089	18.42
27	A	995	992	70.58
28	A	910	907	0.48
29	A	890	888	0.25
30	A	858	855	17.74
31	A	737	735	10.33
32	A	534	532	1.81
33	A	401	400	8.34
34	A	357	356	1.02
35	A	290	290	0.70
36	A	231	230	0.02
37	A	229	229	1.50
38	A	173	173	1.59
39	A	58	57	2.57

Atom	x (Å)	y (Å)	z (Å)
C1	1.744	-0.000	0.410
H2	1.616	-0.894	1.041
H3	2.763	-0.002	0.010
H4	1.618	0.896	1.039
O5	0.875	-0.001	-0.728
C6	-1.023	-1.281	0.249
H7	-2.120	-1.329	0.250
H8	-0.642	-2.169	-0.270
H9	-0.692	-1.319	1.294
C10	-1.022	1.282	0.248
H11	-2.118	1.332	0.248
H12	-0.692	1.320	1.294
H13	-0.638	2.169	-0.270
C14	-0.553	0.000	-0.462
H15	-0.972	0.000	-1.478

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	H11	H12	H13	C14	H15
C1		1.1017	1.0949	1.1017	1.4316	3.0532	4.0886	3.2946	2.9075	3.0524	4.0882	2.9075	3.2925	2.4567	3.3075
H2	1.1017		1.7819	1.7897	2.1159	2.7826	3.8431	2.9053	2.3603	3.5102	4.4189	3.2076	4.0227	2.7865	3.7206
H3	1.0949	1.7819		1.7819	2.0268	4.0035	5.0654	4.0455	3.9142	4.0035	5.0655	3.9151	4.0444	3.3493	4.0205
H4	1.1017	1.7897	1.7819		2.1158	3.5123	4.4202	4.0258	3.2101	2.7820	3.8432	2.3616	2.9021	2.7869	3.7204
O5	1.4316	2.1159	2.0268	2.1158		2.4896	3.4192	2.6854	2.8783	2.4897	3.4192	2.8790	2.6850	1.4528	1.9938
C6	3.0532	2.7826	4.0035	3.5123	2.4896		1.0975	1.0964	1.0973	2.5634	2.8334	2.8226	3.5102	1.5391	2.1506
H7	4.0886	3.8431	5.0654	4.4202	3.4192	1.0975		1.7774	1.7689	2.8328	2.6612	3.1851	3.8343	2.1746	2.4634
H8	3.2946	2.9053	4.0455	4.0258	2.6854	1.0964	1.7774		1.7805	3.5102	3.8345	3.8232	4.3378	2.1792	2.5044
H9	2.9075	2.3603	3.9142	3.2101	2.8783	1.0973	1.7689	1.7805		2.8231	3.1870	2.6388	3.8232	2.2013	3.0827
C10	3.0524	3.5102	4.0035	2.7820	2.4897	2.5634	2.8328	3.5102	2.8231		1.0975	1.0973	1.0964	1.5391	2.1506
H11	4.0882	4.4189	5.0655	3.8432	3.4192	2.8334	2.6612	3.8345	3.1870	1.0975		1.7689	1.7773	2.1746	2.4629
H12	2.9075	3.2076	3.9151	2.3616	2.8790	2.8226	3.1851	3.8232	2.6388	1.0973	1.7689		1.7806	2.2014	3.0827
H13	3.2925	4.0227	4.0444	2.9021	2.6850	3.5102	3.8343	4.3378	3.8232	1.0964	1.7773	1.7806		2.1791	2.5049
C14	2.4567	2.7865	3.3493	2.7869	1.4528	1.5391	2.1746	2.1792	2.2013	1.5391	2.1746	2.2014	2.1791		1.0984
H15	3.3075	3.7206	4.0205	3.7204	1.9938	2.1506	2.4634	2.5044	3.0827	2.1506	2.4629	3.0827	2.5049	1.0984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C14	116.799	H2	C1	H3	108.425
H2	C1	H4	108.632	H2	C1	O5	112.633
H3	C1	H4	108.427	H3	C1	O5	105.914
H4	C1	O5	112.629	O5	C14	C6	112.603
O5	C14	C10	112.609	O5	C14	H15	101.903
C6	C14	C10	112.772	C6	C14	H15	108.090
H7	C6	H8	108.225	H7	C6	H9	107.398
H7	C6	C14	110.004	H8	C6	H9	108.516
H8	C6	C14	110.430	H9	C6	C14	112.140
C10	C14	H15	108.093	H11	C10	H12	107.398
H11	C10	H13	108.218	H11	C10	C14	110.002
H12	C10	H13	108.522	H12	C10	C14	112.143
H13	C10	C14	110.429

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

using model chemistry: BLYP/cc-pVTZ

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	-0.084
2	H	0.053
3	H	0.103
4	H	0.053
5	O	-0.296
6	C	-0.275
7	H	0.082
8	H	0.093
9	H	0.079
10	C	-0.275
11	H	0.082
12	H	0.079
13	H	0.093
14	C	0.138
15	H	0.075

	x	y	z	Total
	-0.596	0.002	1.048	1.206
CHELPG
AIM
ESP

<r²>	137.369
(<r²>)^1/2	11.720

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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