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	hartrees
Energy at 0K	-232.361173
Energy at 298.15K	-232.369700
Nuclear repulsion energy	180.428371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3280	3153	6.44
2	A	3185	3062	0.18
3	A	3155	3034	11.53
4	A	3138	3017	23.99
5	A	3100	2980	14.95
6	A	3076	2958	40.94
7	A	3040	2922	20.66
8	A	3009	2893	53.84
9	A	1733	1666	116.46
10	A	1503	1445	10.04
11	A	1495	1438	7.62
12	A	1485	1428	5.98
13	A	1473	1416	10.95
14	A	1469	1413	5.36
15	A	1422	1367	3.42
16	A	1397	1343	45.18
17	A	1315	1264	174.90
18	A	1206	1160	0.18
19	A	1172	1127	5.86
20	A	1148	1104	90.97
21	A	1060	1020	1.85
22	A	1015	976	3.78
23	A	935	899	5.48
24	A	851	818	51.04
25	A	819	788	7.63
26	A	743	714	2.43
27	A	537	517	5.72
28	A	483	465	2.83
29	A	421	405	0.73
30	A	309	297	0.95
31	A	244	234	0.44
32	A	192	184	1.61
33	A	80	77	5.32

Atom	x (Å)	y (Å)	z (Å)
C1	1.825	-0.083	0.153
H2	1.838	0.076	1.240
H3	2.640	-0.760	-0.110
H4	1.995	0.878	-0.349
O5	0.638	-0.716	-0.271
C6	-0.570	1.412	-0.036
H7	0.017	1.836	0.787
H8	-0.158	1.813	-0.970
H9	-1.596	1.769	0.067
C10	-0.552	-0.088	-0.035
C11	-1.643	-0.839	0.115
H12	-2.618	-0.382	0.222
H13	-1.577	-1.921	0.106

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.0986	1.0923	1.0974	1.4100	2.8298	2.7118	2.9640	3.8912	2.3841	3.5492	4.4528	3.8662
H2	1.0986		1.7794	1.7863	2.0860	3.0353	2.5729	3.4470	4.0047	2.7139	3.7711	4.5933	4.1152
H3	1.0923	1.7794		1.7767	2.0092	3.8773	3.7985	3.8972	4.9373	3.2632	4.2897	5.2819	4.3790
H4	1.0974	1.7863	1.7767		2.0942	2.6388	2.4740	2.4276	3.7233	2.7417	4.0493	4.8154	4.5600
O5	1.4100	2.0860	2.0092	2.0942		2.4583	2.8314	2.7411	3.3586	1.3662	2.3167	3.3098	2.5495
C6	2.8298	3.0353	3.8773	2.6388	2.4583		1.0959	1.0967	1.0911	1.5001	2.4988	2.7347	3.4847
H7	2.7118	2.5729	3.7985	2.4740	2.8314	1.0959		1.7654	1.7677	2.1679	3.2194	3.4898	4.1373
H8	2.9640	3.4470	3.8972	2.4276	2.7411	1.0967	1.7654		1.7736	2.1543	3.2276	3.5058	4.1365
H9	3.8912	4.0047	4.9373	3.7233	3.3586	1.0911	1.7677	1.7736		2.1328	2.6096	2.3866	3.6903
C10	2.3841	2.7139	3.2632	2.7417	1.3662	1.5001	2.1679	2.1543	2.1328		1.3333	2.1023	2.1048
C11	3.5492	3.7711	4.2897	4.0493	2.3167	2.4988	3.2194	3.2276	2.6096	1.3333		1.0821	1.0834
H12	4.4528	4.5933	5.2819	4.8154	3.3098	2.7347	3.4898	3.5058	2.3866	2.1023	1.0821		1.8614
H13	3.8662	4.1152	4.3790	4.5600	2.5495	3.4847	4.1373	4.1365	3.6903	2.1048	1.0834	1.8614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	118.350	H2	C1	H3	108.620
H2	C1	H4	108.870	H2	C1	O5	111.916
H3	C1	H4	108.470	H3	C1	O5	106.129
H4	C1	O5	112.681	O5	C10	C6	118.038
O5	C10	C11	118.227	C6	C10	C11	123.641
H7	C6	H8	107.251	H7	C6	H9	107.850
H7	C6	C10	112.312	H8	C6	H9	108.325
H8	C6	C10	111.169	H9	C6	C10	109.783
C10	C11	H12	120.650	C10	C11	H13	120.791
H12	C11	H13	118.540

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

using model chemistry: B3PW91/6-31G(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	-0.296
2	H	0.138
3	H	0.158
4	H	0.137
5	O	-0.275
6	C	-0.551
7	H	0.153
8	H	0.157
9	H	0.158
10	C	0.439
11	C	-0.481
12	H	0.129
13	H	0.133

	x	y	z	Total
	0.927	1.495	0.427	1.810
CHELPG
AIM
ESP

	x	y	z
x	9.271	0.952	-0.202
y	0.952	7.471	-0.124
z	-0.202	-0.124	5.006

<r²>	127.990
(<r²>)^1/2	11.313

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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