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	hartrees
Energy at 0K	-232.390682
Energy at 298.15K	-232.399035
Nuclear repulsion energy	178.082217

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3172	3160	11.15
2	A	3085	3072	1.62
3	A	3046	3035	5.86
4	A	3045	3033	38.94
5	A	2989	2977	23.45
6	A	2974	2962	55.31
7	A	2948	2937	25.81
8	A	2919	2908	62.28
9	A	1647	1641	100.37
10	A	1469	1463	3.96
11	A	1461	1455	15.48
12	A	1450	1444	15.54
13	A	1443	1438	4.15
14	A	1438	1433	1.45
15	A	1386	1381	3.42
16	A	1369	1363	13.80
17	A	1236	1232	159.34
18	A	1166	1161	0.80
19	A	1126	1122	3.78
20	A	1047	1043	117.88
21	A	1037	1033	3.03
22	A	990	987	5.53
23	A	892	888	8.05
24	A	810	807	52.09
25	A	766	763	7.84
26	A	713	710	4.39
27	A	520	518	7.52
28	A	463	461	2.96
29	A	414	412	1.02
30	A	296	295	1.21
31	A	226	225	0.89
32	A	182	181	1.55
33	A	82	82	6.25

Atom	x (Å)	y (Å)	z (Å)
C1	1.859	-0.069	0.175
H2	1.852	0.022	1.274
H3	2.678	-0.733	-0.124
H4	2.026	0.924	-0.273
O5	0.657	-0.698	-0.312
C6	-0.618	1.426	-0.038
H7	-0.042	1.865	0.792
H8	-0.209	1.836	-0.975
H9	-1.656	1.762	0.062
C10	-0.563	-0.088	-0.038
C11	-1.636	-0.881	0.130
H12	-2.630	-0.457	0.248
H13	-1.530	-1.964	0.118

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.1033	1.0959	1.1020	1.4415	2.9003	2.7809	3.0373	3.9651	2.4315	3.5883	4.5068	3.8835
H2	1.1033		1.7906	1.7995	2.1128	3.1291	2.6865	3.5493	4.0997	2.7508	3.7803	4.6236	4.0892
H3	1.0959	1.7906		1.7872	2.0300	3.9406	3.8711	3.9569	5.0046	3.3059	4.3240	5.3287	4.3913
H4	1.1020	1.7995	1.7872		2.1231	2.7007	2.5088	2.5132	3.7908	2.7897	4.1024	4.8846	4.5978
O5	1.4415	2.1128	2.0300	2.1231		2.4923	2.8772	2.7590	3.3979	1.3919	2.3426	3.3437	2.5635
C6	2.9003	3.1291	3.9406	2.7007	2.4923		1.1011	1.1019	1.0963	1.5146	2.5270	2.7709	3.5140
H7	2.7809	2.6865	3.8711	2.5088	2.8772	1.1011		1.7749	1.7746	2.1848	3.2432	3.5196	4.1631
H8	3.0373	3.5493	3.9569	2.5132	2.7590	1.1019	1.7749		1.7821	2.1694	3.2622	3.5523	4.1694
H9	3.9651	4.0997	5.0046	3.7908	3.3979	1.0963	1.7746	1.7821		2.1512	2.6441	2.4308	3.7290
C10	2.4315	2.7508	3.3059	2.7897	1.3919	1.5146	2.1848	2.1694	2.1512		1.3446	2.1193	2.1165
C11	3.5883	3.7803	4.3240	4.1024	2.3426	2.5270	3.2432	3.2622	2.6441	1.3446		1.0874	1.0885
H12	4.5068	4.6236	5.3287	4.8846	3.3437	2.7709	3.5196	3.5523	2.4308	2.1193	1.0874		1.8706
H13	3.8835	4.0892	4.3913	4.5978	2.5635	3.5140	4.1631	4.1694	3.7290	2.1165	1.0885	1.8706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	118.213	H2	C1	H3	109.019
H2	C1	H4	109.375	H2	C1	O5	111.557
H3	C1	H4	108.805	H3	C1	O5	105.452
H4	C1	O5	112.488	O5	C10	C6	118.019
O5	C10	C11	117.743	C6	C10	C11	124.109
H7	C6	H8	107.350	H7	C6	H9	107.722
H7	C6	C10	112.322	H8	C6	H9	108.329
H8	C6	C10	111.039	H9	C6	C10	109.926
C10	C11	H12	120.878	C10	C11	H13	120.526
H12	C11	H13	118.564

All results from a given calculation for CH₂C(CH₃)OCH₃ (1-Propene, 2-methoxy-)

using model chemistry: BLYP/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	-0.125
2	H	0.100
3	H	0.119
4	H	0.101
5	O	-0.313
6	C	-0.288
7	H	0.116
8	H	0.122
9	H	0.114
10	C	0.101
11	C	-0.232
12	H	0.089
13	H	0.098

	x	y	z	Total
	0.934	1.551	0.521	1.884
CHELPG
AIM
ESP

	x	y	z
x	9.991	1.061	-0.195
y	1.061	8.049	-0.156
z	-0.195	-0.156	5.429

<r²>	131.605
(<r²>)^1/2	11.472

All results from a given calculation for CH2C(CH3)OCH3 (1-Propene, 2-methoxy-)

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

States and conformations

All results from a given calculation for CH₂C(CH₃)OCH₃ (1-Propene, 2-methoxy-)