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	hartrees
Energy at 0K	-233.660550
Energy at 298.15K	-233.671675
Nuclear repulsion energy	198.340776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3141	3005	46.13
2	A	3139	3003	9.59
3	A	3139	3003	15.55
4	A	3132	2997	78.78
5	A	3124	2989	0.29
6	A	3072	2939	14.42
7	A	3065	2932	79.24
8	A	3057	2925	11.51
9	A	3051	2919	2.84
10	A	3010	2880	50.33
11	A	1517	1451	12.91
12	A	1512	1447	3.45
13	A	1501	1436	2.68
14	A	1497	1432	8.76
15	A	1485	1421	0.14
16	A	1482	1417	2.44
17	A	1472	1409	0.70
18	A	1418	1357	22.78
19	A	1401	1340	1.71
20	A	1398	1338	28.02
21	A	1363	1304	1.52
22	A	1237	1183	40.40
23	A	1212	1159	121.59
24	A	1182	1131	6.05
25	A	1178	1127	1.99
26	A	1151	1101	17.05
27	A	1082	1036	27.74
28	A	936	896	0.03
29	A	930	890	15.44
30	A	919	879	0.31
31	A	798	763	8.65
32	A	551	527	2.08
33	A	420	402	9.72
34	A	364	348	1.11
35	A	306	293	0.68
36	A	253	242	1.75
37	A	247	237	0.03
38	A	178	170	1.78
39	A	51	49	3.07

Atom	x (Å)	y (Å)	z (Å)
C1	1.702	-0.000	0.405
H2	1.569	-0.890	1.033
H3	2.724	-0.002	0.025
H4	1.571	0.891	1.030
O5	0.861	-0.001	-0.720
C6	-1.002	-1.266	0.246
H7	-2.093	-1.320	0.244
H8	-0.614	-2.150	-0.263
H9	-0.677	-1.295	1.289
C10	-1.000	1.267	0.246
H11	-2.091	1.324	0.241
H12	-0.676	1.295	1.289
H13	-0.609	2.150	-0.263
C14	-0.538	0.000	-0.463
H15	-0.966	0.000	-1.469

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	H11	H12	H13	C14	H15
C1		1.0969	1.0899	1.0969	1.4044	2.9902	4.0218	3.2296	2.8493	2.9891	4.0212	2.8491	3.2267	2.4024	3.2605
H2	1.0969		1.7712	1.7811	2.0885	2.7150	3.7710	2.8339	2.2963	3.4453	4.3497	3.1430	3.9574	2.7327	3.6712
H3	1.0899	1.7712		1.7712	2.0066	3.9410	4.9991	3.9795	3.8515	3.9408	4.9990	3.8524	3.9780	3.2983	3.9811
H4	1.0969	1.7811	1.7712		2.0885	3.4480	4.3514	3.9613	3.1464	2.7141	3.7708	2.2976	2.8296	2.7331	3.6708
O5	1.4044	2.0885	2.0066	2.0885		2.4504	3.3756	2.6457	2.8416	2.4505	3.3755	2.8424	2.6452	1.4222	1.9746
C6	2.9902	2.7150	3.9410	3.4480	2.4504		1.0923	1.0916	1.0929	2.5324	2.8088	2.7842	3.4756	1.5235	2.1325
H7	4.0218	3.7710	4.9991	4.3514	3.3756	1.0923		1.7702	1.7610	2.8081	2.6434	3.1529	3.8077	2.1589	2.4388
H8	3.2296	2.8339	3.9795	3.9613	2.6457	1.0916	1.7702		1.7730	3.4756	3.8079	3.7788	4.2995	2.1603	2.4903
H9	2.8493	2.2963	3.8515	3.1464	2.8416	1.0929	1.7610	1.7730		2.7849	3.1551	2.5902	3.7789	2.1833	3.0612
C10	2.9891	3.4453	3.9408	2.7141	2.4505	2.5324	2.8081	3.4756	2.7849		1.0923	1.0929	1.0917	1.5235	2.1326
H11	4.0212	4.3497	4.9990	3.7708	3.3755	2.8088	2.6434	3.8079	3.1551	1.0923		1.7610	1.7702	2.1589	2.4383
H12	2.8491	3.1430	3.8524	2.2976	2.8424	2.7842	3.1529	3.7788	2.5902	1.0929	1.7610		1.7731	2.1834	3.0613
H13	3.2267	3.9574	3.9780	2.8296	2.6452	3.4756	3.8077	4.2995	3.7789	1.0917	1.7702	1.7731		2.1603	2.4909
C14	2.4024	2.7327	3.2983	2.7331	1.4222	1.5235	2.1589	2.1603	2.1833	1.5235	2.1589	2.1834	2.1603		1.0936
H15	3.2605	3.6712	3.9811	3.6708	1.9746	2.1325	2.4388	2.4903	3.0612	2.1326	2.4383	3.0613	2.4909	1.0936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C14	116.406	H2	C1	H3	108.182
H2	C1	H4	108.553	H2	C1	O5	112.648
H3	C1	H4	108.183	H3	C1	O5	106.435
H4	C1	O5	112.645	O5	C14	C6	112.531
O5	C14	C10	112.539	O5	C14	H15	102.639
C6	C14	C10	112.424	C6	C14	H15	108.019
H7	C6	H8	108.301	H7	C6	H9	107.386
H7	C6	C14	110.150	H8	C6	H9	108.506
H8	C6	C14	110.303	H9	C6	C14	112.073
C10	C14	H15	108.021	H11	C10	H12	107.387
H11	C10	H13	108.295	H11	C10	C14	110.150
H12	C10	H13	108.511	H12	C10	C14	112.076
H13	C10	C14	110.301

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

using model chemistry: mPW1PW91/6-311G**

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	-0.138
2	H	0.100
3	H	0.125
4	H	0.100
5	O	-0.362
6	C	-0.333
7	H	0.122
8	H	0.135
9	H	0.116
10	C	-0.333
11	H	0.122
12	H	0.116
13	H	0.135
14	C	-0.029
15	H	0.125

	x	y	z	Total
	-0.597	0.002	1.157	1.302
CHELPG
AIM
ESP

	x	y	z
x	8.217	0.000	0.239
y	0.000	7.515	-0.000
z	0.239	-0.000	6.771

<r²>	133.259
(<r²>)^1/2	11.544

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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