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	hartrees
Energy at 0K	-157.024282
Energy at 298.15K	-157.032031
Nuclear repulsion energy	119.139754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3061	3029	15.36
2	A₁	3050	3018	21.85
3	A₁	2953	2923	43.71
4	A₁	1680	1662	16.46
5	A₁	1470	1454	16.03
6	A₁	1403	1389	0.87
7	A₁	1375	1361	1.25
8	A₁	1053	1042	3.99
9	A₁	808	800	0.17
10	A₁	369	365	0.28
11	A₂	2996	2965	0.00
12	A₂	1437	1422	0.00
13	A₂	994	984	0.00
14	A₂	679	671	0.00
15	A₂	162	161	0.00
16	B₁	2998	2967	54.65
17	B₁	1458	1443	22.24
18	B₁	1071	1060	0.28
19	B₁	859	851	48.56
20	B₁	424	419	8.99
21	B₁	205	203	0.63
22	B₂	3142	3109	25.69
23	B₂	3048	3016	28.62
24	B₂	2948	2917	23.40
25	B₂	1452	1437	5.40
26	B₂	1372	1358	13.62
27	B₂	1267	1254	3.35
28	B₂	961	951	0.19
29	B₂	937	927	0.02
30	B₂	426	422	1.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.122
C2	0.000	0.000	1.464
H3	0.000	0.931	2.039
H4	0.000	-0.931	2.039
C5	0.000	1.276	-0.680
C6	0.000	-1.276	-0.680
H7	0.000	2.168	-0.037
H8	0.883	1.331	-1.341
H9	-0.883	1.331	-1.341
H10	0.000	-2.168	-0.037
H11	-0.883	-1.331	-1.341
H12	0.883	-1.331	-1.341

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3418	2.1306	2.1306	1.5071	1.5071	2.1740	2.1658	2.1658	2.1740	2.1658	2.1658
C2	1.3418		1.0941	1.0941	2.4947	2.4947	2.6370	3.2275	3.2275	2.6370	3.2275	3.2275
H3	2.1306	1.0941		1.8623	2.7401	3.5015	2.4162	3.5155	3.5155	3.7301	4.1611	4.1611
H4	2.1306	1.0941	1.8623		3.5015	2.7401	3.7301	4.1611	4.1611	2.4162	3.5155	3.5155
C5	1.5071	2.4947	2.7401	3.5015		2.5519	1.0996	1.1044	1.1044	3.5036	2.8304	2.8304
C6	1.5071	2.4947	3.5015	2.7401	2.5519		3.5036	2.8304	2.8304	1.0996	1.1044	1.1044
H7	2.1740	2.6370	2.4162	3.7301	1.0996	3.5036		1.7835	1.7835	4.3363	3.8368	3.8368
H8	2.1658	3.2275	3.5155	4.1611	1.1044	2.8304	1.7835		1.7664	3.8368	3.1941	2.6612
H9	2.1658	3.2275	3.5155	4.1611	1.1044	2.8304	1.7835	1.7664		3.8368	2.6612	3.1941
H10	2.1740	2.6370	3.7301	2.4162	3.5036	1.0996	4.3363	3.8368	3.8368		1.7835	1.7835
H11	2.1658	3.2275	4.1611	3.5155	2.8304	1.1044	3.8368	3.1941	2.6612	1.7835		1.7664
H12	2.1658	3.2275	4.1611	3.5155	2.8304	1.1044	3.8368	2.6612	3.1941	1.7835	1.7664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.676	C1	C2	H4	121.676
C1	C5	H7	112.079	C1	C5	H8	111.121
C1	C5	H9	111.121	C1	C6	H10	112.079
C1	C6	H11	111.121	C1	C6	H12	111.121
C2	C1	C5	122.150	C2	C1	C6	122.150
H3	C2	H4	116.648	C5	C1	C6	115.699
H7	C5	H8	108.037	H7	C5	H9	108.037
H8	C5	H9	106.197	H10	C6	H11	108.037
H10	C6	H12	108.037	H11	C6	H12	106.197

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

using model chemistry: PBEPBE/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
1	C	0.113
2	C	-0.451
3	H	0.193
4	H	0.193
5	C	-0.688
6	C	-0.688
7	H	0.221
8	H	0.221
9	H	0.221
10	H	0.221
11	H	0.221
12	H	0.221

<r²>	91.655
(<r²>)^1/2	9.574

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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