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	hartrees
Energy at 0K	-157.171975
Energy at 298.15K	-157.179737
Nuclear repulsion energy	118.794686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3051	3039	13.28
2	A₁	3026	3014	22.56
3	A₁	2937	2926	47.46
4	A₁	1657	1650	16.48
5	A₁	1467	1461	12.31
6	A₁	1404	1399	0.82
7	A₁	1378	1373	0.48
8	A₁	1054	1049	3.24
9	A₁	785	782	0.17
10	A₁	371	370	0.27
11	A₂	2968	2956	0.00
12	A₂	1437	1431	0.00
13	A₂	995	991	0.00
14	A₂	681	678	0.00
15	A₂	162	161	0.00
16	B₁	2971	2959	60.68
17	B₁	1455	1449	16.61
18	B₁	1074	1070	0.05
19	B₁	876	873	41.08
20	B₁	427	425	7.79
21	B₁	202	201	0.51
22	B₂	3126	3114	26.02
23	B₂	3024	3012	31.78
24	B₂	2931	2920	21.68
25	B₂	1451	1445	4.36
26	B₂	1369	1364	6.82
27	B₂	1249	1245	5.23
28	B₂	957	953	0.40
29	B₂	932	928	0.09
30	B₂	429	428	1.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.124
C2	0.000	0.000	1.467
H3	0.000	0.929	2.040
H4	0.000	-0.929	2.040
C5	0.000	1.285	-0.683
C6	0.000	-1.285	-0.683
H7	0.000	2.173	-0.037
H8	0.883	1.338	-1.341
H9	-0.883	1.338	-1.341
H10	0.000	-2.173	-0.037
H11	-0.883	-1.338	-1.341
H12	0.883	-1.338	-1.341

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3431	2.1293	2.1293	1.5174	1.5174	2.1787	2.1722	2.1722	2.1787	2.1722	2.1722
C2	1.3431		1.0913	1.0913	2.5049	2.5049	2.6427	3.2341	3.2341	2.6427	3.2341	3.2341
H3	2.1293	1.0913		1.8577	2.7464	3.5095	2.4212	3.5191	3.5191	3.7329	4.1659	4.1659
H4	2.1293	1.0913	1.8577		3.5095	2.7464	3.7329	4.1659	4.1659	2.4212	3.5191	3.5191
C5	1.5174	2.5049	2.7464	3.5095		2.5699	1.0980	1.1031	1.1031	3.5175	2.8449	2.8449
C6	1.5174	2.5049	3.5095	2.7464	2.5699		3.5175	2.8449	2.8449	1.0980	1.1031	1.1031
H7	2.1787	2.6427	2.4212	3.7329	1.0980	3.5175		1.7830	1.7830	4.3455	3.8480	3.8480
H8	2.1722	3.2341	3.5191	4.1659	1.1031	2.8449	1.7830		1.7667	3.8480	3.2065	2.6758
H9	2.1722	3.2341	3.5191	4.1659	1.1031	2.8449	1.7830	1.7667		3.8480	2.6758	3.2065
H10	2.1787	2.6427	3.7329	2.4212	3.5175	1.0980	4.3455	3.8480	3.8480		1.7830	1.7830
H11	2.1722	3.2341	4.1659	3.5191	2.8449	1.1031	3.8480	3.2065	2.6758	1.7830		1.7667
H12	2.1722	3.2341	4.1659	3.5191	2.8449	1.1031	3.8480	2.6758	3.2065	1.7830	1.7667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.670	C1	C2	H4	121.670
C1	C5	H7	111.826	C1	C5	H8	110.991
C1	C5	H9	110.991	C1	C6	H10	111.826
C1	C6	H11	110.991	C1	C6	H12	110.991
C2	C1	C5	122.135	C2	C1	C6	122.135
H3	C2	H4	116.660	C5	C1	C6	115.730
H7	C5	H8	108.205	H7	C5	H9	108.205
H8	C5	H9	106.412	H10	C6	H11	108.205
H10	C6	H12	108.205	H11	C6	H12	106.412

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

using model chemistry: BLYP/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	-0.124
2	C	-0.166
3	H	0.082
4	H	0.082
5	C	-0.252
6	C	-0.252
7	H	0.101
8	H	0.107
9	H	0.107
10	H	0.101
11	H	0.107
12	H	0.107

<r²>	92.325
(<r²>)^1/2	9.609

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

using model chemistry: BLYP/6-311G**

States and conformations

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