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	hartrees
Energy at 0K	-157.240883
Energy at 298.15K	-157.248786
Nuclear repulsion energy	120.217169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3154	3025	8.13
2	A₁	3138	3010	17.99
3	A₁	3039	2915	35.21
4	A₁	1740	1669	22.35
5	A₁	1500	1439	15.43
6	A₁	1443	1384	0.96
7	A₁	1409	1352	0.69
8	A₁	1084	1040	3.85
9	A₁	831	798	0.21
10	A₁	375	360	0.38
11	A₂	3086	2960	0.00
12	A₂	1469	1409	0.00
13	A₂	1021	979	0.00
14	A₂	708	679	0.00
15	A₂	171	164	0.00
16	B₁	3088	2962	37.79
17	B₁	1488	1427	17.16
18	B₁	1107	1062	0.14
19	B₁	928	890	45.02
20	B₁	443	424	8.12
21	B₁	211	202	0.47
22	B₂	3237	3105	16.68
23	B₂	3137	3009	22.32
24	B₂	3034	2910	17.60
25	B₂	1481	1421	4.22
26	B₂	1412	1354	12.56
27	B₂	1309	1255	2.16
28	B₂	991	950	0.29
29	B₂	962	923	0.02
30	B₂	436	418	1.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.122
C2	0.000	0.000	1.450
H3	0.000	0.923	2.015
H4	0.000	-0.923	2.015
C5	0.000	1.268	-0.674
C6	0.000	-1.268	-0.674
H7	0.000	2.148	-0.033
H8	0.876	1.317	-1.327
H9	-0.876	1.317	-1.327
H10	0.000	-2.148	-0.033
H11	-0.876	-1.317	-1.327
H12	0.876	-1.317	-1.327

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3279	2.1064	2.1064	1.4967	1.4967	2.1533	2.1444	2.1444	2.1533	2.1444	2.1444
C2	1.3279		1.0825	1.0825	2.4733	2.4733	2.6102	3.1951	3.1951	2.6102	3.1951	3.1951
H3	2.1064	1.0825		1.8462	2.7112	3.4686	2.3869	3.4770	3.4770	3.6915	4.1172	4.1172
H4	2.1064	1.0825	1.8462		3.4686	2.7112	3.6915	4.1172	4.1172	2.3869	3.4770	3.4770
C5	1.4967	2.4733	2.7112	3.4686		2.5351	1.0885	1.0932	1.0932	3.4748	2.8055	2.8055
C6	1.4967	2.4733	3.4686	2.7112	2.5351		3.4748	2.8055	2.8055	1.0885	1.0932	1.0932
H7	2.1533	2.6102	2.3869	3.6915	1.0885	3.4748		1.7690	1.7690	4.2954	3.8001	3.8001
H8	2.1444	3.1951	3.4770	4.1172	1.0932	2.8055	1.7690		1.7514	3.8001	3.1627	2.6334
H9	2.1444	3.1951	3.4770	4.1172	1.0932	2.8055	1.7690	1.7514		3.8001	2.6334	3.1627
H10	2.1533	2.6102	3.6915	2.3869	3.4748	1.0885	4.2954	3.8001	3.8001		1.7690	1.7690
H11	2.1444	3.1951	4.1172	3.4770	2.8055	1.0932	3.8001	3.1627	2.6334	1.7690		1.7514
H12	2.1444	3.1951	4.1172	3.4770	2.8055	1.0932	3.8001	2.6334	3.1627	1.7690	1.7514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.491	C1	C2	H4	121.491
C1	C5	H7	111.832	C1	C5	H8	110.823
C1	C5	H9	110.823	C1	C6	H10	111.832
C1	C6	H11	110.823	C1	C6	H12	110.823
C2	C1	C5	122.124	C2	C1	C6	122.124
H3	C2	H4	117.019	C5	C1	C6	115.751
H7	C5	H8	108.352	H7	C5	H9	108.352
H8	C5	H9	106.461	H10	C6	H11	108.352
H10	C6	H12	108.352	H11	C6	H12	106.461

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

using model chemistry: mPW1PW91/cc-pVTZ

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	0.054
2	C	-0.292
3	H	0.095
4	H	0.095
5	C	-0.233
6	C	-0.233
7	H	0.086
8	H	0.085
9	H	0.085
10	H	0.086
11	H	0.085
12	H	0.085

<r²>	90.106
(<r²>)^1/2	9.492

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

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

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