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	hartrees
Energy at 0K	-232.388888
Energy at 298.15K	-232.397453
Nuclear repulsion energy	180.796104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3299	3149	5.41
2	A	3202	3057	0.11
3	A	3175	3031	10.70
4	A	3158	3015	23.43
5	A	3120	2978	13.99
6	A	3097	2957	39.58
7	A	3057	2918	19.37
8	A	3028	2891	52.27
9	A	1749	1670	120.36
10	A	1512	1444	10.92
11	A	1504	1436	7.14
12	A	1493	1426	5.23
13	A	1481	1414	11.66
14	A	1477	1410	5.87
15	A	1431	1366	4.71
16	A	1406	1342	52.60
17	A	1327	1267	170.33
18	A	1214	1159	0.17
19	A	1180	1127	7.06
20	A	1162	1109	88.09
21	A	1067	1018	1.87
22	A	1021	975	3.82
23	A	942	899	5.36
24	A	860	821	51.82
25	A	828	790	7.85
26	A	750	716	2.20
27	A	541	516	5.72
28	A	486	464	2.92
29	A	423	404	0.73
30	A	312	298	0.95
31	A	247	236	0.46
32	A	195	186	1.53
33	A	81	77	5.50

Atom	x (Å)	y (Å)	z (Å)
C1	1.819	-0.085	0.155
H2	1.828	0.073	1.240
H3	2.635	-0.760	-0.106
H4	1.990	0.876	-0.345
O5	0.636	-0.714	-0.274
C6	-0.566	1.410	-0.036
H7	0.022	1.831	0.785
H8	-0.154	1.808	-0.969
H9	-1.590	1.768	0.067
C10	-0.551	-0.088	-0.036
C11	-1.641	-0.836	0.116
H12	-2.613	-0.377	0.226
H13	-1.575	-1.916	0.106

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.0970	1.0906	1.0958	1.4066	2.8213	2.7013	2.9560	3.8810	2.3772	3.5404	4.4418	3.8572
H2	1.0970		1.7768	1.7837	2.0814	3.0251	2.5615	3.4382	3.9919	2.7042	3.7581	4.5774	4.1021
H3	1.0906	1.7768		1.7742	2.0058	3.8678	3.7861	3.8879	4.9264	3.2562	4.2816	5.2717	4.3710
H4	1.0958	1.7837	1.7742		2.0895	2.6295	2.4620	2.4197	3.7124	2.7345	4.0401	4.8041	4.5506
O5	1.4066	2.0814	2.0058	2.0895		2.4529	2.8246	2.7337	3.3521	1.3632	2.3131	3.3045	2.5455
C6	2.8213	3.0251	3.8678	2.6295	2.4529		1.0944	1.0951	1.0896	1.4980	2.4948	2.7299	3.4790
H7	2.7013	2.5615	3.7861	2.4620	2.8246	1.0944		1.7633	1.7658	2.1641	3.2135	3.4829	4.1297
H8	2.9560	3.4382	3.8879	2.4197	2.7337	1.0951	1.7633		1.7717	2.1503	3.2222	3.5005	4.1291
H9	3.8810	3.9919	4.9264	3.7124	3.3521	1.0896	1.7658	1.7717		2.1296	2.6055	2.3822	3.6846
C10	2.3772	2.7042	3.2562	2.7345	1.3632	1.4980	2.1641	2.1503	2.1296		1.3309	2.0988	2.1009
C11	3.5404	3.7581	4.2816	4.0401	2.3131	2.4948	3.2135	3.2222	2.6055	1.3309		1.0807	1.0819
H12	4.4418	4.5774	5.2717	4.8041	3.3045	2.7299	3.4829	3.5005	2.3822	2.0988	1.0807		1.8597
H13	3.8572	4.1021	4.3710	4.5506	2.5455	3.4790	4.1297	4.1291	3.6846	2.1009	1.0819	1.8597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	118.232	H2	C1	H3	108.628
H2	C1	H4	108.874	H2	C1	O5	111.887
H3	C1	H4	108.480	H3	C1	O5	106.183
H4	C1	O5	112.637	O5	C10	C6	117.958
O5	C10	C11	118.312	C6	C10	C11	123.639
H7	C6	H8	107.286	H7	C6	H9	107.903
H7	C6	C10	112.256	H8	C6	H9	108.383
H8	C6	C10	111.096	H9	C6	C10	109.774
C10	C11	H12	120.627	C10	C11	H13	120.733
H12	C11	H13	118.621

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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	-0.298
2	H	0.140
3	H	0.161
4	H	0.140
5	O	-0.288
6	C	-0.556
7	H	0.156
8	H	0.161
9	H	0.161
10	C	0.438
11	C	-0.485
12	H	0.133
13	H	0.137

	x	y	z	Total
	0.920	1.499	0.436	1.812
CHELPG
AIM
ESP

	x	y	z
x	9.164	0.934	-0.210
y	0.934	7.382	-0.132
z	-0.210	-0.132	4.980

<r²>	127.477
(<r²>)^1/2	11.291

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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