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	hartrees
Energy at 0K	-232.364998
Energy at 298.15K	-232.373559
Nuclear repulsion energy	180.422312

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3310	3139	7.67
2	A	3219	3053	0.50
3	A	3185	3021	7.08
4	A	3182	3017	31.65
5	A	3131	2969	17.28
6	A	3116	2955	47.28
7	A	3072	2913	23.46
8	A	3049	2892	53.73
9	A	1764	1672	112.29
10	A	1543	1463	9.85
11	A	1536	1456	9.24
12	A	1522	1444	10.49
13	A	1511	1433	4.48
14	A	1509	1431	8.17
15	A	1458	1382	9.86
16	A	1434	1360	38.48
17	A	1341	1272	186.69
18	A	1226	1162	0.63
19	A	1190	1129	5.95
20	A	1166	1105	92.85
21	A	1084	1028	2.76
22	A	1035	982	3.57
23	A	950	901	5.28
24	A	859	814	65.13
25	A	832	789	8.64
26	A	752	714	2.05
27	A	542	514	6.05
28	A	483	458	3.32
29	A	425	403	0.67
30	A	313	297	1.16
31	A	247	234	0.84
32	A	197	187	1.65
33	A	85	81	6.78

Atom	x (Å)	y (Å)	z (Å)
C1	1.820	-0.081	0.170
H2	1.811	0.032	1.262
H3	2.641	-0.744	-0.107
H4	1.992	0.899	-0.289
O5	0.644	-0.700	-0.302
C6	-0.583	1.412	-0.038
H7	0.002	1.840	0.783
H8	-0.178	1.816	-0.973
H9	-1.611	1.762	0.069
C10	-0.551	-0.087	-0.040
C11	-1.629	-0.854	0.126
H12	-2.610	-0.413	0.249
H13	-1.547	-1.934	0.112

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.0973	1.0907	1.0962	1.4101	2.8374	2.7150	2.9824	3.8964	2.3804	3.5353	4.4431	3.8438
H2	1.0973		1.7790	1.7861	2.0835	3.0538	2.6016	3.4824	4.0156	2.6992	3.7295	4.5567	4.0571
H3	1.0907	1.7790		1.7759	2.0064	3.8792	3.7988	3.9041	4.9385	3.2593	4.2778	5.2730	4.3590
H4	1.0962	1.7861	1.7759		2.0912	2.6379	2.4483	2.4524	3.7221	2.7387	4.0448	4.8155	4.5513
O5	1.4101	2.0835	2.0064	2.0912		2.4571	2.8355	2.7298	3.3594	1.3685	2.3186	3.3129	2.5489
C6	2.8374	3.0538	3.8792	2.6379	2.4571		1.0955	1.0960	1.0908	1.4993	2.5017	2.7425	3.4859
H7	2.7150	2.6016	3.7988	2.4483	2.8355	1.0955		1.7655	1.7660	2.1670	3.2177	3.4905	4.1347
H8	2.9824	3.4824	3.9041	2.4524	2.7298	1.0960	1.7655		1.7726	2.1511	3.2315	3.5179	4.1369
H9	3.8964	4.0156	4.9385	3.7221	3.3594	1.0908	1.7660	1.7726		2.1342	2.6175	2.4007	3.6978
C10	2.3804	2.6992	3.2593	2.7387	1.3685	1.4993	2.1670	2.1511	2.1342		1.3341	2.1046	2.1046
C11	3.5353	3.7295	4.2778	4.0448	2.3186	2.5017	3.2177	3.2315	2.6175	1.3341		1.0824	1.0833
H12	4.4431	4.5567	5.2730	4.8155	3.3129	2.7425	3.4905	3.5179	2.4007	2.1046	1.0824		1.8610
H13	3.8438	4.0571	4.3590	4.5513	2.5489	3.4859	4.1347	4.1369	3.6978	2.1046	1.0833	1.8610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	117.882	H2	C1	H3	108.799
H2	C1	H4	109.030	H2	C1	O5	111.784
H3	C1	H4	108.592	H3	C1	O5	105.996
H4	C1	O5	112.499	O5	C10	C6	117.844
O5	C10	C11	118.159	C6	C10	C11	123.893
H7	C6	H8	107.336	H7	C6	H9	107.748
H7	C6	C10	112.320	H8	C6	H9	108.308
H8	C6	C10	111.009	H9	C6	C10	109.966
C10	C11	H12	120.787	C10	C11	H13	120.709
H12	C11	H13	118.483

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

using model chemistry: mPW1PW91/6-31G*

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	-0.279
2	H	0.168
3	H	0.192
4	H	0.166
5	O	-0.488
6	C	-0.608
7	H	0.187
8	H	0.192
9	H	0.194
10	C	0.421
11	C	-0.481
12	H	0.161
13	H	0.173

	x	y	z	Total
	0.888	1.563	0.547	1.879
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>	127.865
(<r²>)^1/2	11.308

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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