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	hartrees
Energy at 0K	-233.413775
Energy at 298.15K	-233.424896
HF Energy	-233.413775
Nuclear repulsion energy	198.048737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3155	3012	47.51
2	A	3154	3011	0.54
3	A	3153	3011	14.55
4	A	3144	3002	70.76
5	A	3137	2995	0.23
6	A	3080	2941	67.10
7	A	3080	2941	15.98
8	A	3064	2925	13.66
9	A	3058	2920	10.45
10	A	3019	2883	56.58
11	A	1516	1447	15.07
12	A	1511	1443	2.70
13	A	1503	1435	3.14
14	A	1498	1430	9.30
15	A	1484	1417	0.23
16	A	1483	1416	2.48
17	A	1469	1403	1.21
18	A	1417	1353	27.46
19	A	1401	1337	29.41
20	A	1394	1331	0.50
21	A	1359	1298	1.99
22	A	1235	1179	57.87
23	A	1212	1157	106.97
24	A	1181	1128	6.13
25	A	1176	1123	1.73
26	A	1151	1099	16.48
27	A	1083	1034	26.63
28	A	937	895	0.01
29	A	932	890	16.51
30	A	918	876	0.33
31	A	799	763	9.63
32	A	552	527	1.96
33	A	421	402	9.60
34	A	368	351	1.26
35	A	310	296	0.76
36	A	258	247	1.76
37	A	251	239	0.06
38	A	178	170	1.97
39	A	49	47	3.60

Atom	x (Å)	y (Å)	z (Å)
C1	-1.754	-0.001	-0.404
H2	-1.624	-0.891	-1.019
H3	-2.771	-0.002	-0.011
H4	-1.627	0.890	-1.018
O5	-0.872	-0.000	0.719
C6	1.026	-1.258	-0.255
H7	2.117	-1.241	-0.335
H8	0.730	-2.149	0.299
H9	0.611	-1.304	-1.258
C10	1.026	1.259	-0.255
H11	2.115	1.244	-0.334
H12	0.609	1.305	-1.259
H13	0.722	2.151	0.299
C14	0.550	-0.001	0.483
H15	1.008	0.002	1.474

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	H11	H12	H13	C14	H15
C1		1.0895	1.0904	1.0889	1.4283	3.0546	4.0653	3.3586	2.8322	3.0552	4.0644	2.8310	3.3545	2.4685	3.3403
H2	1.0895		1.7664	1.7811	2.0929	2.7823	3.8192	2.9770	2.2858	3.4966	4.3595	3.1404	4.0610	2.7880	3.7339
H3	1.0904	1.7664		1.7657	2.0343	4.0065	5.0527	4.1182	3.8325	4.0079	5.0524	3.8322	4.1149	3.3571	4.0605
H4	1.0889	1.7811	1.7657		2.0929	3.4981	4.3622	4.0656	3.1440	2.7846	3.8203	2.2867	2.9734	2.7900	3.7342
O5	1.4283	2.0929	2.0343	2.0929		2.4769	3.4038	2.7130	2.7946	2.4775	3.4029	2.7945	2.7102	1.4416	2.0263
C6	3.0546	2.7823	4.0065	3.4981	2.4769		1.0939	1.0909	1.0857	2.5174	2.7297	2.7836	3.4668	1.5338	2.1398
H7	4.0653	3.8192	5.0527	4.3622	3.4038	1.0939		1.7752	1.7671	2.7296	2.4852	3.1000	3.7219	2.1595	2.4591
H8	3.3586	2.9770	4.1182	4.0656	2.7130	1.0909	1.7752		1.7758	3.4661	3.7194	3.7911	4.2999	2.1640	2.4667
H9	2.8322	2.2858	3.8325	3.1440	2.7946	1.0857	1.7671	1.7758		2.7834	3.0994	2.6086	3.7909	2.1753	3.0539
C10	3.0552	3.4966	4.0079	2.7846	2.4775	2.5174	2.7296	3.4661	2.7834		1.0922	1.0877	1.0927	1.5356	2.1385
H11	4.0644	4.3595	5.0524	3.8203	3.4029	2.7297	2.4852	3.7194	3.0994	1.0922		1.7685	1.7783	2.1598	2.4570
H12	2.8310	3.1404	3.8322	2.2867	2.7945	2.7836	3.1000	3.7911	2.6086	1.0877	1.7685		1.7766	2.1771	3.0540
H13	3.3545	4.0610	4.1149	2.9734	2.7102	3.4668	3.7219	4.2999	3.7909	1.0927	1.7783	1.7766		2.1659	2.4659
C14	2.4685	2.7880	3.3571	2.7900	1.4416	1.5338	2.1595	2.1640	2.1753	1.5356	2.1598	2.1771	2.1659		1.0925
H15	3.3403	3.7339	4.0605	3.7342	2.0263	2.1398	2.4591	2.4667	3.0539	2.1385	2.4570	3.0540	2.4659	1.0925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C14	118.663	H2	C1	H3	108.251
H2	C1	H4	109.691	H2	C1	O5	111.747
H3	C1	H4	108.231	H3	C1	O5	106.975
H4	C1	O5	111.786	O5	C14	C6	112.669
O5	C14	C10	112.602	O5	C14	H15	105.357
C6	C14	C10	110.197	C6	C14	H15	107.951
H7	C6	H8	108.684	H7	C6	H9	108.330
H7	C6	C14	109.388	H8	C6	H9	109.344
H8	C6	C14	109.922	H9	C6	C14	111.123
C10	C14	H15	107.726	H11	C10	H12	108.444
H11	C10	H13	108.962	H11	C10	C14	109.387
H12	C10	H13	109.140	H12	C10	C14	111.026
H13	C10	C14	109.842

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.299
2	H	0.141
3	H	0.164
4	H	0.141
5	O	-0.300
6	C	-0.545
7	H	0.165
8	H	0.180
9	H	0.160
10	C	-0.545
11	H	0.165
12	H	0.160
13	H	0.180
14	C	0.079
15	H	0.155

	x	y	z	Total
	-0.702	0.002	1.271	1.452
CHELPG
AIM
ESP

	x	y	z
x	8.511	0.000	0.163
y	0.000	7.833	-0.000
z	0.163	-0.000	7.128

<r²>	133.796
(<r²>)^1/2	11.567

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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