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	hartrees
Energy at 0K	-232.234059
Energy at 298.15K	-232.245522
HF Energy	-232.234059
Nuclear repulsion energy	199.039259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3244	2940	51.56
2	A	3234	2932	68.88
3	A	3230	2927	22.80
4	A	3229	2927	102.22
5	A	3218	2917	5.54
6	A	3194	2895	79.96
7	A	3186	2888	3.67
8	A	3169	2872	23.25
9	A	3160	2865	13.97
10	A	3148	2853	43.43
11	A	1636	1483	9.13
12	A	1632	1480	2.30
13	A	1627	1475	3.28
14	A	1616	1465	4.93
15	A	1607	1456	0.28
16	A	1602	1452	2.24
17	A	1602	1452	0.43
18	A	1546	1401	22.42
19	A	1530	1386	18.27
20	A	1522	1379	1.00
21	A	1486	1347	3.09
22	A	1356	1229	103.50
23	A	1319	1196	98.94
24	A	1285	1164	5.05
25	A	1280	1160	7.94
26	A	1223	1108	18.08
27	A	1165	1056	44.59
28	A	1008	914	0.15
29	A	998	904	21.29
30	A	992	899	0.02
31	A	837	759	7.96
32	A	591	536	2.02
33	A	450	407	10.24
34	A	392	356	1.13
35	A	323	292	0.93
36	A	280	254	0.00
37	A	276	250	1.55
38	A	189	172	2.41
39	A	57	52	2.85

Atom	x (Å)	y (Å)	z (Å)
C1	1.748	-0.000	0.388
H2	1.637	-0.881	1.007
H3	2.745	-0.001	-0.029
H4	1.638	0.882	1.005
O5	0.858	-0.001	-0.689
C6	-1.023	-1.269	0.241
H7	-2.104	-1.315	0.203
H8	-0.629	-2.146	-0.256
H9	-0.735	-1.306	1.284
C10	-1.022	1.269	0.240
H11	-2.103	1.316	0.202
H12	-0.734	1.306	1.283
H13	-0.627	2.146	-0.257
C14	-0.538	0.000	-0.449
H15	-0.945	0.000	-1.451

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	H11	H12	H13	C14	H15
C1		1.0824	1.0798	1.0824	1.3970	3.0514	4.0750	3.2668	2.9453	3.0509	4.0747	2.9449	3.2660	2.4345	3.2611
H2	1.0824		1.7531	1.7622	2.0637	2.7953	3.8516	2.8868	2.4258	3.5045	4.4119	3.2376	3.9859	2.7616	3.6724
H3	1.0798	1.7531		1.7531	1.9986	3.9841	5.0290	4.0042	3.9410	3.9842	5.0291	3.9413	4.0042	3.3093	3.9540
H4	1.0824	1.7622	1.7531		2.0636	3.5059	4.4132	3.9876	3.2395	2.7951	3.8516	2.4262	2.8854	2.7620	3.6723
O5	1.3970	2.0637	1.9986	2.0636		2.4518	3.3613	2.6463	2.8517	2.4519	3.3613	2.8519	2.6464	1.4167	1.9574
C6	3.0514	2.7953	3.9841	3.5059	2.4518		1.0832	1.0824	1.0823	2.5384	2.8020	2.7931	3.4739	1.5234	2.1167
H7	4.0750	3.8516	5.0290	4.4132	3.3613	1.0832		1.7546	1.7445	2.8019	2.6307	3.1486	3.7909	2.1462	2.4103
H8	3.2668	2.8868	4.0042	3.9876	2.6463	1.0824	1.7546		1.7573	3.4739	3.7909	3.7815	4.2926	2.1568	2.4769
H9	2.9453	2.4258	3.9410	3.2395	2.8517	1.0823	1.7445	1.7573		2.7932	3.1488	2.6119	3.7816	2.1781	3.0379
C10	3.0509	3.5045	3.9842	2.7951	2.4519	2.5384	2.8019	3.4739	2.7932		1.0832	1.0823	1.0824	1.5234	2.1167
H11	4.0747	4.4119	5.0291	3.8516	3.3613	2.8020	2.6307	3.7909	3.1488	1.0832		1.7445	1.7546	2.1462	2.4102
H12	2.9449	3.2376	3.9413	2.4262	2.8519	2.7931	3.1486	3.7815	2.6119	1.0823	1.7445		1.7573	2.1781	3.0379
H13	3.2660	3.9859	4.0042	2.8854	2.6464	3.4739	3.7909	4.2926	3.7816	1.0824	1.7546	1.7573		2.1568	2.4770
C14	2.4345	2.7616	3.3093	2.7620	1.4167	1.5234	2.1462	2.1568	2.1781	1.5234	2.1462	2.1781	2.1568		1.0821
H15	3.2611	3.6724	3.9540	3.6723	1.9574	2.1167	2.4103	2.4769	3.0379	2.1167	2.4102	3.0379	2.4770	1.0821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C14	119.821	H2	C1	H3	108.353
H2	C1	H4	108.987	H2	C1	O5	112.054
H3	C1	H4	108.353	H3	C1	O5	106.896
H4	C1	O5	112.052	O5	C14	C6	112.960
O5	C14	C10	112.964	O5	C14	H15	102.307
C6	C14	C10	112.847	C6	C14	H15	107.448
H7	C6	H8	108.236	H7	C6	H9	107.337
H7	C6	C14	109.694	H8	C6	H9	108.541
H8	C6	C14	110.582	H9	C6	C14	112.316
C10	C14	H15	107.448	H11	C10	H12	107.337
H11	C10	H13	108.235	H11	C10	C14	109.692
H12	C10	H13	108.541	H12	C10	C14	112.316
H13	C10	C14	110.583

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

using model chemistry: HF/Def2TZVPP

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	0.013
2	H	0.045
3	H	0.078
4	H	0.045
5	O	-0.423
6	C	-0.236
7	H	0.057
8	H	0.076
9	H	0.049
10	C	-0.236
11	H	0.057
12	H	0.049
13	H	0.076
14	C	0.322
15	H	0.028

	x	y	z	Total
	-0.608	0.001	1.175	1.323
CHELPG
AIM
ESP

	x	y	z
x	8.182	0.000	0.177
y	0.000	7.586	0.000
z	0.177	0.000	6.899

<r²>	133.436
(<r²>)^1/2	11.551

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

using model chemistry: HF/Def2TZVPP

States and conformations

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