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	hartrees
Energy at 0K	-229.360140
Energy at 298.15K	-229.368043
Nuclear repulsion energy	174.378861

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3464	3205	0.09
2	A	3377	3124	0.46
3	A	3343	3093	2.20
4	A	3333	3083	1.98
5	A	3310	3062	22.77
6	A	3285	3039	10.15
7	A	3200	2960	1.55
8	A	3139	2904	18.24
9	A	1751	1620	46.96
10	A	1632	1510	8.01
11	A	1629	1507	3.83
12	A	1611	1491	13.43
13	A	1603	1484	1.66
14	A	1535	1420	5.49
15	A	1512	1399	0.68
16	A	1497	1385	13.34
17	A	1345	1244	113.85
18	A	1192	1103	0.60
19	A	1116	1033	0.02
20	A	1110	1027	2.33
21	A	1106	1023	33.18
22	A	1059	979	0.67
23	A	942	871	1.49
24	A	808	748	35.60
25	A	779	721	3.47
26	A	712	658	0.20
27	A	516	478	3.27
28	A	467	432	0.11
29	A	409	379	0.30
30	A	317	294	0.13
31	A	249	230	0.29
32	A	176	163	0.61
33	A	31	29	1.18

Atom	x (Å)	y (Å)	z (Å)
C1	-1.884	-0.060	0.000
H2	-1.977	0.584	-0.909
H3	-2.716	-0.801	0.000
H4	-1.976	0.584	0.910
O5	-0.636	-0.886	-0.000
C6	0.516	1.467	-0.000
H7	-0.007	1.858	-0.899
H8	-0.006	1.858	0.899
H9	1.550	1.862	-0.000
C10	0.573	-0.087	-0.000
C11	1.751	-0.777	0.000
H12	2.715	-0.249	0.000
H13	1.768	-1.877	0.000

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.1180	1.1142	1.1180	1.4966	2.8444	2.8300	2.8302	3.9355	2.4567	3.7045	4.6029	4.0794
H2	1.1180		1.8140	1.8190	2.1873	2.7965	2.3461	2.9622	3.8602	2.7886	4.0709	4.8513	4.5728
H3	1.1142	1.8140		1.8140	2.0819	3.9482	3.9008	3.9010	5.0292	3.3652	4.4667	5.4591	4.6116
H4	1.1180	1.8190	1.8140		2.1873	2.7963	2.9620	2.3460	3.8600	2.7881	4.0703	4.8506	4.5721
O5	1.4966	2.1873	2.0819	2.1873		2.6198	2.9548	2.9552	3.5115	1.4487	2.3889	3.4109	2.6005
C6	2.8444	2.7965	3.9482	2.7963	2.6198		1.1108	1.1108	1.1073	1.5550	2.5612	2.7896	3.5714
H7	2.8300	2.3461	3.9008	2.9620	2.9548	1.1108		1.7978	1.7979	2.2194	3.2922	3.5577	4.2323
H8	2.8302	2.9622	3.9010	2.3460	2.9552	1.1108	1.7978		1.7979	2.2194	3.2920	3.5573	4.2321
H9	3.9355	3.8602	5.0292	3.8600	3.5115	1.1073	1.7979	1.7979		2.1805	2.6465	2.4112	3.7460
C10	2.4567	2.7886	3.3652	2.7881	1.4487	1.5550	2.2194	2.2194	2.1805		1.3652	2.1486	2.1531
C11	3.7045	4.0709	4.4667	4.0703	2.3889	2.5612	3.2922	3.2920	2.6465	1.3652		1.0994	1.1009
H12	4.6029	4.8513	5.4591	4.8506	3.4109	2.7896	3.5577	3.5573	2.4112	2.1486	1.0994		1.8838
H13	4.0794	4.5728	4.6116	4.5721	2.6005	3.5714	4.2323	4.2321	3.7460	2.1531	1.1009	1.8838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	113.029	H2	C1	H3	108.716
H2	C1	H4	108.884	H2	C1	O5	112.753
H3	C1	H4	108.717	H3	C1	O5	104.819
H4	C1	O5	112.756	O5	C10	C6	121.381
O5	C10	C11	116.171	C6	C10	C11	122.448
H7	C6	H8	108.047	H7	C6	H9	108.303
H7	C6	C10	111.636	H8	C6	H9	108.303
H8	C6	C10	111.638	H9	C6	C10	108.806
C10	C11	H12	120.960	C10	C11	H13	121.267
H12	C11	H13	117.774

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

using model chemistry: BLYP/STO-3G

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	-0.125
2	H	0.079
3	H	0.088
4	H	0.079
5	O	-0.143
6	C	-0.224
7	H	0.079
8	H	0.079
9	H	0.087
10	C	0.065
11	C	-0.197
12	H	0.065
13	H	0.068

	x	y	z	Total
	-1.133	1.482	0.001	1.865
CHELPG
AIM
ESP

	x	y	z
x	6.484	-0.643	0.000
y	-0.643	4.100	0.000
z	0.000	0.000	2.033

<r²>	134.064
(<r²>)^1/2	11.579

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

using model chemistry: BLYP/STO-3G

States and conformations

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