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	hartrees
Energy at 0K	-157.261698
Energy at 298.15K	-157.269562
Nuclear repulsion energy	119.573407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3127	3022	14.97
2	A₁	3105	3000	24.47
3	A₁	3017	2915	47.76
4	A₁	1725	1667	16.84
5	A₁	1520	1469	14.64
6	A₁	1455	1406	0.76
7	A₁	1429	1381	0.44
8	A₁	1090	1053	3.21
9	A₁	816	788	0.13
10	A₁	380	367	0.27
11	A₂	3051	2949	0.00
12	A₂	1488	1438	0.00
13	A₂	1030	996	0.00
14	A₂	703	679	0.00
15	A₂	163	158	0.00
16	B₁	3055	2952	64.34
17	B₁	1508	1457	20.27
18	B₁	1113	1076	0.13
19	B₁	908	878	49.70
20	B₁	438	423	8.35
21	B₁	207	200	0.46
22	B₂	3204	3096	27.26
23	B₂	3103	2999	31.97
24	B₂	3011	2909	22.69
25	B₂	1503	1452	5.25
26	B₂	1425	1377	10.19
27	B₂	1301	1257	3.71
28	B₂	990	957	0.22
29	B₂	967	934	0.00
30	B₂	441	427	1.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.124
C2	0.000	0.000	1.457
H3	0.000	0.923	2.029
H4	0.000	-0.923	2.029
C5	0.000	1.276	-0.678
C6	0.000	-1.276	-0.678
H7	0.000	2.161	-0.039
H8	0.878	1.330	-1.333
H9	-0.878	1.330	-1.333
H10	0.000	-2.161	-0.039
H11	-0.878	-1.330	-1.333
H12	0.878	-1.330	-1.333

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3330	2.1168	2.1168	1.5071	1.5071	2.1671	2.1593	2.1593	2.1671	2.1593	2.1593
C2	1.3330		1.0859	1.0859	2.4874	2.4874	2.6285	3.2132	3.2132	2.6285	3.2132	3.2132
H3	2.1168	1.0859		1.8460	2.7303	3.4877	2.4106	3.4986	3.4986	3.7134	4.1413	4.1413
H4	2.1168	1.0859	1.8460		3.4877	2.7303	3.7134	4.1413	4.1413	2.4106	3.4986	3.4986
C5	1.5071	2.4874	2.7303	3.4877		2.5513	1.0917	1.0964	1.0964	3.4954	2.8263	2.8263
C6	1.5071	2.4874	3.4877	2.7303	2.5513		3.4954	2.8263	2.8263	1.0917	1.0964	1.0964
H7	2.1671	2.6285	2.4106	3.7134	1.0917	3.4954		1.7705	1.7705	4.3218	3.8249	3.8249
H8	2.1593	3.2132	3.4986	4.1413	1.0964	2.8263	1.7705		1.7554	3.8249	3.1869	2.6598
H9	2.1593	3.2132	3.4986	4.1413	1.0964	2.8263	1.7705	1.7554		3.8249	2.6598	3.1869
H10	2.1671	2.6285	3.7134	2.4106	3.4954	1.0917	4.3218	3.8249	3.8249		1.7705	1.7705
H11	2.1593	3.2132	4.1413	3.4986	2.8263	1.0964	3.8249	3.1869	2.6598	1.7705		1.7554
H12	2.1593	3.2132	4.1413	3.4986	2.8263	1.0964	3.8249	2.6598	3.1869	1.7705	1.7554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.787	C1	C2	H4	121.787
C1	C5	H7	112.007	C1	C5	H8	111.092
C1	C5	H9	111.092	C1	C6	H10	112.007
C1	C6	H11	111.092	C1	C6	H12	111.092
C2	C1	C5	122.172	C2	C1	C6	122.172
H3	C2	H4	116.427	C5	C1	C6	115.656
H7	C5	H8	108.025	H7	C5	H9	108.025
H8	C5	H9	106.364	H10	C6	H11	108.025
H10	C6	H12	108.025	H11	C6	H12	106.364

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

using model chemistry: B3LYP/6-311G*

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	ESP
1	C	0.117	0.487
2	C	-0.456	-0.704
3	H	0.192	0.222
4	H	0.192	0.222
5	C	-0.659	-0.537
6	C	-0.659	-0.537
7	H	0.213	0.141
8	H	0.212	0.142
9	H	0.212	0.141
10	H	0.213	0.141
11	H	0.212	0.141
12	H	0.212	0.142

	x	y	z	Total
	0.000	0.000	-0.499	0.499
CHELPG
AIM
ESP	0.007	0.000	-0.484	0.484

<r²>	91.249
(<r²>)^1/2	9.552

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

using model chemistry: B3LYP/6-311G*

States and conformations

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