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	hartrees
Energy at 0K	-157.090927
Energy at 298.15K	-157.098748
Nuclear repulsion energy	118.252827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3080	3056	12.23
2	A₁	3049	3026	24.99
3	A₁	2949	2926	51.54
4	A₁	1678	1665	12.02
5	A₁	1509	1498	9.92
6	A₁	1448	1437	0.84
7	A₁	1426	1415	0.64
8	A₁	1084	1076	4.58
9	A₁	791	785	0.05
10	A₁	376	373	0.27
11	A₂	2988	2965	0.00
12	A₂	1482	1471	0.00
13	A₂	1025	1017	0.00
14	A₂	694	689	0.00
15	A₂	170	169	0.00
16	B₁	2992	2970	70.01
17	B₁	1497	1485	17.10
18	B₁	1111	1102	2.66
19	B₁	910	903	48.22
20	B₁	429	426	6.24
21	B₁	202	201	0.71
22	B₂	3160	3136	32.05
23	B₂	3047	3024	32.44
24	B₂	2942	2920	24.32
25	B₂	1494	1482	4.58
26	B₂	1414	1404	5.89
27	B₂	1279	1269	7.36
28	B₂	984	976	0.41
29	B₂	955	948	0.00
30	B₂	434	431	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.123
C2	0.000	0.000	1.476
H3	0.000	0.929	2.053
H4	0.000	-0.929	2.053
C5	0.000	1.290	-0.687
C6	0.000	-1.290	-0.687
H7	0.000	2.181	-0.038
H8	0.887	1.346	-1.347
H9	-0.887	1.346	-1.347
H10	0.000	-2.181	-0.038
H11	-0.887	-1.346	-1.347
H12	0.887	-1.346	-1.347

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3524	2.1417	2.1417	1.5235	1.5235	2.1867	2.1820	2.1820	2.1867	2.1820	2.1820
C2	1.3524		1.0939	1.0939	2.5181	2.5181	2.6546	3.2508	3.2508	2.6546	3.2508	3.2508
H3	2.1417	1.0939		1.8585	2.7633	3.5259	2.4368	3.5386	3.5386	3.7475	4.1863	4.1863
H4	2.1417	1.0939	1.8585		3.5259	2.7633	3.7475	4.1863	4.1863	2.4368	3.5386	3.5386
C5	1.5235	2.5181	2.7633	3.5259		2.5806	1.1018	1.1071	1.1071	3.5312	2.8589	2.8589
C6	1.5235	2.5181	3.5259	2.7633	2.5806		3.5312	2.8589	2.8589	1.1018	1.1071	1.1071
H7	2.1867	2.6546	2.4368	3.7475	1.1018	3.5312		1.7881	1.7881	4.3616	3.8652	3.8652
H8	2.1820	3.2508	3.5386	4.1863	1.1071	2.8589	1.7881		1.7733	3.8652	3.2239	2.6924
H9	2.1820	3.2508	3.5386	4.1863	1.1071	2.8589	1.7881	1.7733		3.8652	2.6924	3.2239
H10	2.1867	2.6546	3.7475	2.4368	3.5312	1.1018	4.3616	3.8652	3.8652		1.7881	1.7881
H11	2.1820	3.2508	4.1863	3.5386	2.8589	1.1071	3.8652	3.2239	2.6924	1.7881		1.7733
H12	2.1820	3.2508	4.1863	3.5386	2.8589	1.1071	3.8652	2.6924	3.2239	1.7881	1.7733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.848	C1	C2	H4	121.848
C1	C5	H7	111.804	C1	C5	H8	111.101
C1	C5	H9	111.101	C1	C6	H10	111.804
C1	C6	H11	111.101	C1	C6	H12	111.101
C2	C1	C5	122.121	C2	C1	C6	122.121
H3	C2	H4	116.304	C5	C1	C6	115.759
H7	C5	H8	108.092	H7	C5	H9	108.092
H8	C5	H9	106.430	H10	C6	H11	108.092
H10	C6	H12	108.092	H11	C6	H12	106.430

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

using model chemistry: BLYP/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	0.208
2	C	-0.303
3	H	0.096
4	H	0.096
5	C	-0.431
6	C	-0.431
7	H	0.126
8	H	0.128
9	H	0.128
10	H	0.126
11	H	0.128
12	H	0.128

<r²>	92.682
(<r²>)^1/2	9.627

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

using model chemistry: BLYP/6-31G

States and conformations

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