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	hartrees
Energy at 0K	-232.384422
Energy at 298.15K	-232.392980
Nuclear repulsion energy	180.284641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3307	3148	5.60
2	A	3208	3053	0.31
3	A	3181	3027	4.89
4	A	3178	3025	29.31
5	A	3130	2979	11.63
6	A	3114	2964	42.38
7	A	3065	2917	22.46
8	A	3041	2895	61.10
9	A	1742	1658	141.42
10	A	1517	1444	9.13
11	A	1510	1438	12.15
12	A	1497	1425	9.33
13	A	1486	1414	8.69
14	A	1485	1413	12.46
15	A	1438	1368	10.51
16	A	1412	1344	45.78
17	A	1325	1261	187.88
18	A	1212	1153	0.49
19	A	1177	1120	6.99
20	A	1153	1098	96.62
21	A	1067	1016	1.69
22	A	1022	973	3.75
23	A	942	896	6.82
24	A	862	821	71.70
25	A	826	786	10.23
26	A	744	708	3.68
27	A	541	515	8.28
28	A	483	460	3.14
29	A	425	404	1.05
30	A	312	296	1.44
31	A	240	228	1.32
32	A	194	184	1.60
33	A	89	84	8.15

Atom	x (Å)	y (Å)	z (Å)
C1	1.824	-0.082	0.175
H2	1.806	0.011	1.268
H3	2.643	-0.742	-0.110
H4	1.997	0.904	-0.270
O5	0.646	-0.691	-0.312
C6	-0.589	1.413	-0.038
H7	0.001	1.840	0.780
H8	-0.193	1.817	-0.976
H9	-1.616	1.758	0.078
C10	-0.552	-0.085	-0.041
C11	-1.626	-0.862	0.129
H12	-2.607	-0.425	0.259
H13	-1.535	-1.941	0.111

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.0965	1.0898	1.0952	1.4134	2.8464	2.7167	2.9999	3.9025	2.3861	3.5378	4.4454	3.8398
H2	1.0965		1.7791	1.7883	2.0818	3.0665	2.6151	3.5058	4.0218	2.6984	3.7198	4.5477	4.0381
H3	1.0898	1.7791		1.7753	2.0082	3.8851	3.7993	3.9169	4.9422	3.2627	4.2775	5.2727	4.3522
H4	1.0952	1.7883	1.7753		2.0911	2.6455	2.4414	2.4757	3.7291	2.7440	4.0503	4.8211	4.5512
O5	1.4134	2.0818	2.0082	2.0911		2.4553	2.8307	2.7269	3.3565	1.3695	2.3204	3.3132	2.5487
C6	2.8464	3.0665	3.8851	2.6455	2.4553		1.0944	1.0951	1.0900	1.4991	2.5065	2.7462	3.4886
H7	2.7167	2.6151	3.7993	2.4414	2.8307	1.0944		1.7664	1.7649	2.1645	3.2206	3.4933	4.1352
H8	2.9999	3.5058	3.9169	2.4757	2.7269	1.0951	1.7664		1.7720	2.1497	3.2328	3.5181	4.1358
H9	3.9025	4.0218	4.9422	3.7291	3.3565	1.0900	1.7649	1.7720		2.1314	2.6203	2.4036	3.6997
C10	2.3861	2.6984	3.2627	2.7440	1.3695	1.4991	2.1645	2.1497	2.1314		1.3363	2.1043	2.1054
C11	3.5378	3.7198	4.2775	4.0503	2.3204	2.5065	3.2206	3.2328	2.6203	1.3363		1.0819	1.0829
H12	4.4454	4.5477	5.2727	4.8211	3.3132	2.7462	3.4933	3.5181	2.4036	2.1043	1.0819		1.8629
H13	3.8398	4.0381	4.3522	4.5512	2.5487	3.4886	4.1352	4.1358	3.6997	2.1054	1.0829	1.8629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	118.052	H2	C1	H3	108.926
H2	C1	H4	109.357	H2	C1	O5	111.454
H3	C1	H4	108.683	H3	C1	O5	105.972
H4	C1	O5	112.315	O5	C10	C6	117.650
O5	C10	C11	118.084	C6	C10	C11	124.155
H7	C6	H8	107.564	H7	C6	H9	107.794
H7	C6	C10	112.206	H8	C6	H9	108.377
H8	C6	C10	110.961	H9	C6	C10	109.802
C10	C11	H12	120.596	C10	C11	H13	120.631
H12	C11	H13	118.753

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

using model chemistry: mPW1PW91/6-31+G**

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	-0.253
2	H	0.159
3	H	0.173
4	H	0.154
5	O	-0.305
6	C	-0.594
7	H	0.178
8	H	0.191
9	H	0.183
10	C	0.230
11	C	-0.429
12	H	0.149
13	H	0.163

	x	y	z	Total
	0.915	1.711	0.577	2.024
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	128.517
(<r²>)^1/2	11.337

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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