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	hartrees
Energy at 0K	-232.370355
Energy at 298.15K	-232.379042
HF Energy	-232.370355
Nuclear repulsion energy	180.203063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3297	3140	7.11
2	A	3199	3048	0.69
3	A	3179	3029	2.42
4	A	3178	3027	34.97
5	A	3129	2981	13.37
6	A	3104	2957	46.31
7	A	3063	2917	22.24
8	A	3033	2889	62.07
9	A	1753	1670	146.37
10	A	1526	1454	11.27
11	A	1518	1446	9.29
12	A	1501	1430	11.44
13	A	1495	1424	5.28
14	A	1488	1418	11.90
15	A	1446	1377	7.78
16	A	1421	1354	51.32
17	A	1329	1266	186.46
18	A	1215	1157	0.33
19	A	1186	1130	7.60
20	A	1160	1105	100.17
21	A	1076	1025	1.61
22	A	1025	977	3.82
23	A	948	903	8.22
24	A	870	829	72.04
25	A	826	787	11.02
26	A	751	715	1.77
27	A	544	519	8.62
28	A	488	465	3.16
29	A	433	413	1.09
30	A	328	312	1.41
31	A	256	244	1.45
32	A	214	204	0.74
33	A	97	92	9.22

Atom	x (Å)	y (Å)	z (Å)
C1	1.826	-0.074	0.184
H2	1.780	0.019	1.276
H3	2.650	-0.734	-0.087
H4	2.001	0.912	-0.260
O5	0.652	-0.684	-0.326
C6	-0.605	1.415	-0.038
H7	-0.028	1.843	0.788
H8	-0.202	1.823	-0.972
H9	-1.638	1.748	0.068
C10	-0.553	-0.087	-0.045
C11	-1.614	-0.876	0.134
H12	-2.599	-0.450	0.277
H13	-1.508	-1.954	0.113

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.0971	1.0905	1.0957	1.4172	2.8586	2.7344	3.0080	3.9151	2.3894	3.5317	4.4417	3.8277
H2	1.0971		1.7835	1.7908	2.0812	3.0600	2.6147	3.4988	4.0164	2.6830	3.6908	4.5161	4.0067
H3	1.0905	1.7835		1.7785	2.0128	3.9005	3.8187	3.9321	4.9571	3.2680	4.2717	5.2696	4.3377
H4	1.0957	1.7908	1.7785		2.0912	2.6627	2.4663	2.4883	3.7480	2.7507	4.0518	4.8278	4.5462
O5	1.4172	2.0812	2.0128	2.0912		2.4635	2.8446	2.7269	3.3638	1.3740	2.3197	3.3152	2.5438
C6	2.8586	3.0600	3.9005	2.6627	2.4635		1.0949	1.0958	1.0910	1.5027	2.5091	2.7492	3.4916
H7	2.7344	2.6147	3.8187	2.4663	2.8446	1.0949		1.7693	1.7660	2.1667	3.2148	3.4830	4.1310
H8	3.0080	3.4988	3.9321	2.4883	2.7269	1.0958	1.7693		1.7747	2.1519	3.2402	3.5320	4.1415
H9	3.9151	4.0164	4.9571	3.7480	3.3638	1.0910	1.7660	1.7747		2.1345	2.6245	2.4082	3.7047
C10	2.3894	2.6830	3.2680	2.7507	1.3740	1.5027	2.1667	2.1519	2.1345		1.3340	2.1033	2.1035
C11	3.5317	3.6908	4.2717	4.0518	2.3197	2.5091	3.2148	3.2402	2.6245	1.3340		1.0832	1.0839
H12	4.4417	4.5161	5.2696	4.8278	3.3152	2.7492	3.4830	3.5320	2.4082	2.1033	1.0832		1.8656
H13	3.8277	4.0067	4.3377	4.5462	2.5438	3.4916	4.1310	4.1415	3.7047	2.1035	1.0839	1.8656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	117.739	H2	C1	H3	109.233
H2	C1	H4	109.502	H2	C1	O5	111.088
H3	C1	H4	108.878	H3	C1	O5	106.030
H4	C1	O5	112.005	O5	C10	C6	117.755
O5	C10	C11	117.874	C6	C10	C11	124.272
H7	C6	H8	107.742	H7	C6	H9	107.789
H7	C6	C10	112.093	H8	C6	H9	108.503
H8	C6	C10	110.844	H9	C6	C10	109.747
C10	C11	H12	120.600	C10	C11	H13	120.553
H12	C11	H13	118.831

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

using model chemistry: wB97X-D/cc-pVDZ

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	-0.211
2	H	0.150
3	H	0.167
4	H	0.143
5	O	-0.347
6	C	-0.547
7	H	0.167
8	H	0.180
9	H	0.173
10	C	0.213
11	C	-0.387
12	H	0.142
13	H	0.158

	x	y	z	Total
	0.909	1.728	0.606	2.044
CHELPG
AIM
ESP

	x	y	z
x	9.712	1.129	-0.205
y	1.129	7.925	-0.167
z	-0.205	-0.167	6.165

<r²>	128.491
(<r²>)^1/2	11.335

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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