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	hartrees
Energy at 0K	-233.373901
Energy at 298.15K	-233.385045
HF Energy	-233.373901
Nuclear repulsion energy	198.245793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3164	3007	32.12
2	A	3163	3005	13.95
3	A	3159	3002	19.03
4	A	3154	2997	70.08
5	A	3147	2991	0.17
6	A	3085	2932	76.58
7	A	3084	2930	20.20
8	A	3076	2923	9.17
9	A	3070	2918	2.46
10	A	3028	2878	48.77
11	A	1543	1467	14.26
12	A	1538	1462	1.83
13	A	1530	1454	2.34
14	A	1524	1449	6.91
15	A	1510	1435	0.14
16	A	1508	1433	1.74
17	A	1495	1421	0.51
18	A	1438	1367	23.28
19	A	1421	1351	24.49
20	A	1414	1344	0.53
21	A	1377	1309	3.59
22	A	1252	1190	82.86
23	A	1232	1171	88.32
24	A	1195	1136	5.67
25	A	1192	1133	1.63
26	A	1162	1104	15.98
27	A	1100	1045	23.36
28	A	947	900	0.02
29	A	943	896	13.29
30	A	927	881	0.56
31	A	807	767	7.28
32	A	554	527	2.21
33	A	420	399	9.36
34	A	366	348	1.30
35	A	313	297	0.62
36	A	264	251	1.68
37	A	251	239	0.06
38	A	182	173	1.62
39	A	53	51	2.96

Atom	x (Å)	y (Å)	z (Å)
C1	1.699	-0.000	0.406
H2	1.565	-0.891	1.037
H3	2.725	-0.002	0.027
H4	1.566	0.893	1.034
O5	0.863	-0.001	-0.721
C6	-1.002	-1.266	0.246
H7	-2.096	-1.319	0.242
H8	-0.612	-2.154	-0.262
H9	-0.677	-1.294	1.293
C10	-1.000	1.267	0.246
H11	-2.094	1.322	0.240
H12	-0.677	1.294	1.292
H13	-0.608	2.154	-0.262
C14	-0.535	0.000	-0.465
H15	-0.965	0.000	-1.474

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	H11	H12	H13	C14	H15
C1		1.1000	1.0934	1.1000	1.4031	2.9870	4.0210	3.2287	2.8471	2.9862	4.0205	2.8470	3.2267	2.3975	3.2603
H2	1.1000		1.7766	1.7844	2.0912	2.7114	3.7701	2.8314	2.2921	3.4441	4.3498	3.1410	3.9602	2.7306	3.6736
H3	1.0934	1.7766		1.7766	2.0066	3.9411	5.0020	3.9810	3.8528	3.9411	5.0020	3.8535	3.9801	3.2963	3.9831
H4	1.1000	1.7844	1.7766		2.0912	3.4462	4.3512	3.9633	3.1436	2.7108	3.7701	2.2933	2.8283	2.7310	3.6733
O5	1.4031	2.0912	2.0066	2.0912		2.4516	3.3788	2.6495	2.8451	2.4517	3.3788	2.8458	2.6493	1.4205	1.9765
C6	2.9870	2.7114	3.9411	3.4462	2.4516		1.0954	1.0948	1.0960	2.5326	2.8089	2.7845	3.4798	1.5251	2.1360
H7	4.0210	3.7701	5.0020	4.3512	3.3788	1.0954		1.7755	1.7655	2.8085	2.6412	3.1538	3.8119	2.1626	2.4421
H8	3.2287	2.8314	3.9810	3.9633	2.6495	1.0948	1.7755		1.7776	3.4798	3.8120	3.7826	4.3081	2.1649	2.4968
H9	2.8471	2.2921	3.8528	3.1436	2.8451	1.0960	1.7655	1.7776		2.7850	3.1554	2.5878	3.7826	2.1868	3.0675
C10	2.9862	3.4441	3.9411	2.7108	2.4517	2.5326	2.8085	3.4798	2.7850		1.0954	1.0960	1.0948	1.5251	2.1360
H11	4.0205	4.3498	5.0020	3.7701	3.3788	2.8089	2.6412	3.8120	3.1554	1.0954		1.7655	1.7755	2.1626	2.4416
H12	2.8470	3.1410	3.8535	2.2933	2.8458	2.7845	3.1538	3.7826	2.5878	1.0960	1.7655		1.7776	2.1868	3.0675
H13	3.2267	3.9602	3.9801	2.8283	2.6493	3.4798	3.8119	4.3081	3.7826	1.0948	1.7755	1.7776		2.1649	2.4972
C14	2.3975	2.7306	3.2963	2.7310	1.4205	1.5251	2.1626	2.1649	2.1868	1.5251	2.1626	2.1868	2.1649		1.0969
H15	3.2603	3.6736	3.9831	3.6733	1.9765	2.1360	2.4421	2.4968	3.0675	2.1360	2.4416	3.0675	2.4972	1.0969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C14	116.223	H2	C1	H3	108.187
H2	C1	H4	108.409	H2	C1	O5	112.767
H3	C1	H4	108.188	H3	C1	O5	106.325
H4	C1	O5	112.765	O5	C14	C6	112.618
O5	C14	C10	112.626	O5	C14	H15	102.709
C6	C14	C10	112.259	C6	C14	H15	107.987
H7	C6	H8	108.323	H7	C6	H9	107.349
H7	C6	C14	110.152	H8	C6	H9	108.469
H8	C6	C14	110.370	H9	C6	C14	112.054
C10	C14	H15	107.986	H11	C10	H12	107.350
H11	C10	H13	108.321	H11	C10	C14	110.149
H12	C10	H13	108.469	H12	C10	C14	112.055
H13	C10	C14	110.373

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

using model chemistry: PBE1PBE/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	-0.271
2	H	0.152
3	H	0.183
4	H	0.153
5	O	-0.468
6	C	-0.541
7	H	0.173
8	H	0.186
9	H	0.169
10	C	-0.541
11	H	0.173
12	H	0.169
13	H	0.186
14	C	0.108
15	H	0.169

	x	y	z	Total
	-0.587	0.002	1.145	1.287
CHELPG
AIM
ESP

	x	y	z
x	7.645	0.000	0.230
y	0.000	6.839	-0.000
z	0.230	-0.000	6.276

<r²>	133.080
(<r²>)^1/2	11.536

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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