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	hartrees
Energy at 0K	-232.397523
Energy at 298.15K	-232.406112
Nuclear repulsion energy	180.177528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3300	3162	6.27
2	A	3196	3063	0.27
3	A	3176	3043	9.39
4	A	3170	3038	24.97
5	A	3121	2991	13.87
6	A	3107	2978	36.50
7	A	3054	2927	23.06
8	A	3032	2906	57.59
9	A	1736	1663	141.92
10	A	1489	1426	7.53
11	A	1482	1420	12.86
12	A	1468	1406	7.02
13	A	1458	1397	16.11
14	A	1455	1395	6.52
15	A	1418	1359	7.49
16	A	1388	1330	57.19
17	A	1312	1257	158.09
18	A	1198	1148	0.08
19	A	1162	1113	9.11
20	A	1146	1098	98.18
21	A	1050	1006	1.35
22	A	1011	969	3.46
23	A	937	897	5.81
24	A	862	826	58.65
25	A	824	789	11.30
26	A	737	707	3.08
27	A	538	516	7.76
28	A	482	462	3.05
29	A	424	406	0.92
30	A	315	302	1.23
31	A	247	237	0.66
32	A	201	192	1.38
33	A	89	85	6.54

Atom	x (Å)	y (Å)	z (Å)
C1	1.825	-0.087	0.161
H2	1.816	0.062	1.251
H3	2.639	-0.770	-0.097
H4	2.001	0.876	-0.338
O5	0.637	-0.714	-0.285
C6	-0.565	1.415	-0.038
H7	0.029	1.833	0.787
H8	-0.153	1.810	-0.977
H9	-1.592	1.774	0.070
C10	-0.554	-0.083	-0.036
C11	-1.645	-0.840	0.119
H12	-2.622	-0.380	0.235
H13	-1.576	-1.925	0.105

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.1002	1.0937	1.0990	1.4147	2.8291	2.7027	2.9672	3.8917	2.3864	3.5509	4.4567	3.8660
H2	1.1002		1.7850	1.7952	2.0855	3.0262	2.5588	3.4491	3.9925	2.7002	3.7515	4.5739	4.0945
H3	1.0937	1.7850		1.7819	2.0118	3.8784	3.7910	3.9022	4.9400	3.2666	4.2905	5.2860	4.3753
H4	1.0990	1.7952	1.7819		2.0950	2.6385	2.4637	2.4328	3.7256	2.7451	4.0556	4.8243	4.5646
O5	1.4147	2.0855	2.0118	2.0950		2.4566	2.8290	2.7332	3.3590	1.3702	2.3211	3.3169	2.5530
C6	2.8291	3.0262	3.8784	2.6385	2.4566		1.0982	1.0991	1.0936	1.4977	2.5057	2.7437	3.4929
H7	2.7027	2.5588	3.7910	2.4637	2.8290	1.0982		1.7731	1.7730	2.1647	3.2242	3.4968	4.1431
H8	2.9672	3.4491	3.9022	2.4328	2.7332	1.0991	1.7731		1.7798	2.1514	3.2329	3.5156	4.1409
H9	3.8917	3.9925	4.9400	3.7256	3.3590	1.0936	1.7730	1.7798		2.1302	2.6157	2.3935	3.6998
C10	2.3864	2.7002	3.2666	2.7451	1.3702	1.4977	2.1647	2.1514	2.1302		1.3377	2.1069	2.1118
C11	3.5509	3.7515	4.2905	4.0556	2.3211	2.5057	3.2242	3.2329	2.6157	1.3377		1.0860	1.0872
H12	4.4567	4.5739	5.2860	4.8243	3.3169	2.7437	3.4968	3.5156	2.3935	2.1069	1.0860		1.8706
H13	3.8660	4.0945	4.3753	4.5646	2.5530	3.4929	4.1431	4.1409	3.6998	2.1118	1.0872	1.8706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	117.932	H2	C1	H3	108.894
H2	C1	H4	109.431	H2	C1	O5	111.429
H3	C1	H4	108.714	H3	C1	O5	105.941
H4	C1	O5	112.297	O5	C10	C6	117.801
O5	C10	C11	117.995	C6	C10	C11	124.093
H7	C6	H8	107.596	H7	C6	H9	107.982
H7	C6	C10	112.087	H8	C6	H9	108.517
H8	C6	C10	110.948	H9	C6	C10	109.593
C10	C11	H12	120.401	C10	C11	H13	120.777
H12	C11	H13	118.803

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

using model chemistry: mPW1PW91/aug-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	0.748
2	H	-0.120
3	H	-0.342
4	H	-0.098
5	O	-0.666
6	C	0.240
7	H	0.061
8	H	0.032
9	H	-0.294
10	C	0.524
11	C	0.826
12	H	-0.447
13	H	-0.464

	x	y	z	Total
	0.931	1.595	0.455	1.903
CHELPG
AIM
ESP

	x	y	z
x	10.507	1.019	-0.114
y	1.019	8.642	-0.120
z	-0.114	-0.120	6.738

<r²>	128.624
(<r²>)^1/2	11.341

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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