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	hartrees
Energy at 0K	-43.360398
Energy at 298.15K	-43.371767
Nuclear repulsion energy	113.876928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3283	2996	51.85
2	A	3254	2969	111.17
3	A	3245	2961	29.66
4	A	3244	2960	102.59
5	A	3231	2948	52.57
6	A	3218	2937	46.17
7	A	3217	2935	9.85
8	A	3153	2877	44.47
9	A	3143	2868	25.29
10	A	3142	2867	33.52
11	A	1649	1505	14.85
12	A	1645	1501	1.92
13	A	1643	1499	3.03
14	A	1634	1491	8.89
15	A	1627	1485	1.37
16	A	1623	1481	0.91
17	A	1600	1460	0.66
18	A	1558	1422	15.28
19	A	1543	1408	19.13
20	A	1504	1372	8.86
21	A	1496	1365	7.72
22	A	1333	1217	68.32
23	A	1309	1194	101.45
24	A	1283	1170	7.83
25	A	1257	1147	4.33
26	A	1241	1132	24.06
27	A	1138	1038	59.32
28	A	1030	940	0.08
29	A	1012	923	0.02
30	A	977	891	14.69
31	A	815	744	14.92
32	A	581	530	3.14
33	A	433	395	16.75
34	A	386	353	1.67
35	A	302	276	1.70
36	A	264	241	0.00
37	A	254	231	2.27
38	A	177	162	4.29
39	A	58	53	5.80

Atom	x (Å)	y (Å)	z (Å)
C1	1.779	-0.000	0.364
H2	1.669	-0.886	0.985
H3	2.766	-0.002	-0.077
H4	1.671	0.887	0.983
O5	0.856	-0.001	-0.734
C6	-1.026	-1.281	0.243
H7	-2.111	-1.341	0.246
H8	-0.637	-2.156	-0.268
H9	-0.692	-1.308	1.277
C10	-1.024	1.282	0.242
H11	-2.110	1.344	0.245
H12	-0.691	1.308	1.277
H13	-0.634	2.157	-0.268
C14	-0.574	0.000	-0.478
H15	-0.988	0.000	-1.478

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	H11	H12	H13	C14	H15
C1		1.0873	1.0812	1.0873	1.4339	3.0853	4.1160	3.2989	2.9404	3.0845	4.1156	2.9402	3.2970	2.4984	3.3240
H2	1.0873		1.7642	1.7724	2.0976	2.8230	3.8786	2.9162	2.4159	3.5361	4.4492	3.2353	4.0160	2.8206	3.7303
H3	1.0812	1.7642		1.7642	2.0198	4.0144	5.0680	4.0322	3.9362	4.0144	5.0680	3.9369	4.0314	3.3637	4.0074
H4	1.0873	1.7724	1.7642		2.0975	3.5381	4.4506	4.0189	3.2378	2.8224	3.8785	2.4168	2.9133	2.8209	3.7301
O5	1.4339	2.0976	2.0198	2.0975		2.4769	3.4003	2.6631	2.8544	2.4769	3.4003	2.8550	2.6629	1.4527	1.9890
C6	3.0853	2.8230	4.0144	3.5381	2.4769		1.0872	1.0854	1.0869	2.5633	2.8400	2.8081	3.4976	1.5380	2.1460
H7	4.1160	3.8786	5.0680	4.4506	3.4003	1.0872		1.7614	1.7544	2.8395	2.6848	3.1775	3.8316	2.1649	2.4563
H8	3.2989	2.9162	4.0322	4.0189	2.6631	1.0854	1.7614		1.7636	3.4976	3.8317	3.7937	4.3128	2.1674	2.4975
H9	2.9404	2.4159	3.9362	3.2378	2.8544	1.0869	1.7544	1.7636		2.8085	3.1789	2.6158	3.7937	2.1917	3.0641
C10	3.0845	3.5361	4.0144	2.8224	2.4769	2.5633	2.8395	3.4976	2.8085		1.0872	1.0869	1.0854	1.5380	2.1461
H11	4.1156	4.4492	5.0680	3.8785	3.4003	2.8400	2.6848	3.8317	3.1789	1.0872		1.7544	1.7613	2.1649	2.4560
H12	2.9402	3.2353	3.9369	2.4168	2.8550	2.8081	3.1775	3.7937	2.6158	1.0869	1.7544		1.7637	2.1917	3.0642
H13	3.2970	4.0160	4.0314	2.9133	2.6629	3.4976	3.8316	4.3128	3.7937	1.0854	1.7613	1.7637		2.1675	2.4980
C14	2.4984	2.8206	3.3637	2.8209	1.4527	1.5380	2.1649	2.1674	2.1917	1.5380	2.1649	2.1917	2.1675		1.0828
H15	3.3240	3.7303	4.0074	3.7301	1.9890	2.1460	2.4563	2.4975	3.0641	2.1461	2.4560	3.0642	2.4980	1.0828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C14	119.884	H2	C1	H3	108.894
H2	C1	H4	109.192	H2	C1	O5	111.874
H3	C1	H4	108.894	H3	C1	O5	105.998
H4	C1	O5	111.870	O5	C14	C6	111.796
O5	C14	C10	111.801	O5	C14	H15	102.361
C6	C14	C10	112.883	C6	C14	H15	108.692
H7	C6	H8	108.340	H7	C6	H9	107.602
H7	C6	C14	109.920	H8	C6	H9	108.560
H8	C6	C14	110.228	H9	C6	C14	112.082
C10	C14	H15	108.695	H11	C10	H12	107.601
H11	C10	H13	108.335	H11	C10	C14	109.920
H12	C10	H13	108.564	H12	C10	C14	112.082
H13	C10	C14	110.229

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

using model chemistry: HF/CEP-121G

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	-0.222
2	H	0.131
3	H	0.167
4	H	0.131
5	O	-0.475
6	C	-0.508
7	H	0.144
8	H	0.167
9	H	0.138
10	C	-0.508
11	H	0.144
12	H	0.138
13	H	0.167
14	C	0.245
15	H	0.140

	x	y	z	Total
	-0.810	0.002	1.764	1.941
CHELPG
AIM
ESP

	x	y	z
x	7.720	-0.000	0.196
y	-0.000	6.843	-0.000
z	0.196	-0.000	6.411

<r²>	116.242
(<r²>)^1/2	10.782

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

using model chemistry: HF/CEP-121G

States and conformations

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