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	hartrees
Energy at 0K	-155.210685
Energy at 298.15K	-155.218098
Nuclear repulsion energy	117.140811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3376	3123	1.98
2	A₁	3291	3045	6.45
3	A₁	3195	2956	3.08
4	A₁	1797	1663	3.55
5	A₁	1636	1514	7.16
6	A₁	1538	1423	0.00
7	A₁	1518	1404	1.18
8	A₁	1129	1044	8.31
9	A₁	819	757	0.01
10	A₁	367	340	0.35
11	A₂	3334	3085	0.00
12	A₂	1624	1502	0.00
13	A₂	1079	998	0.00
14	A₂	740	684	0.00
15	A₂	141	130	0.00
16	B₁	3335	3086	4.94
17	B₁	1631	1509	8.19
18	B₁	1158	1071	3.96
19	B₁	925	855	22.21
20	B₁	420	389	3.51
21	B₁	166	153	0.26
22	B₂	3438	3180	1.12
23	B₂	3374	3121	2.08
24	B₂	3193	2954	2.48
25	B₂	1635	1512	1.16
26	B₂	1516	1403	0.75
27	B₂	1347	1246	10.14
28	B₂	1024	948	0.42
29	B₂	1005	930	0.11
30	B₂	427	395	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.131
C2	0.000	0.000	1.484
H3	0.000	0.938	2.066
H4	0.000	-0.938	2.066
C5	0.000	1.312	-0.695
C6	0.000	-1.312	-0.695
H7	0.000	2.199	-0.032
H8	0.896	1.360	-1.352
H9	-0.896	1.360	-1.352
H10	0.000	-2.199	-0.032
H11	-0.896	-1.360	-1.352
H12	0.896	-1.360	-1.352

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3531	2.1504	2.1504	1.5500	1.5500	2.2052	2.2020	2.2020	2.2052	2.2020	2.2020
C2	1.3531		1.1037	1.1037	2.5432	2.5432	2.6711	3.2697	3.2697	2.6711	3.2697	3.2697
H3	2.1504	1.1037		1.8756	2.7861	3.5613	2.4480	3.5580	3.5580	3.7739	4.2143	4.2143
H4	2.1504	1.1037	1.8756		3.5613	2.7861	3.7739	4.2143	4.2143	2.4480	3.5580	3.5580
C5	1.5500	2.5432	2.7861	3.5613		2.6234	1.1077	1.1116	1.1116	3.5729	2.8932	2.8932
C6	1.5500	2.5432	3.5613	2.7861	2.6234		3.5729	2.8932	2.8932	1.1077	1.1116	1.1116
H7	2.2052	2.6711	2.4480	3.7739	1.1077	3.5729		1.8021	1.8021	4.3984	3.9000	3.9000
H8	2.2020	3.2697	3.5580	4.2143	1.1116	2.8932	1.8021		1.7912	3.9000	3.2566	2.7197
H9	2.2020	3.2697	3.5580	4.2143	1.1116	2.8932	1.8021	1.7912		3.9000	2.7197	3.2566
H10	2.2052	2.6711	3.7739	2.4480	3.5729	1.1077	4.3984	3.9000	3.9000		1.8021	1.8021
H11	2.2020	3.2697	4.2143	3.5580	2.8932	1.1116	3.9000	3.2566	2.7197	1.8021		1.7912
H12	2.2020	3.2697	4.2143	3.5580	2.8932	1.1116	3.9000	2.7197	3.2566	1.8021	1.7912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.825	C1	C2	H4	121.825
C1	C5	H7	111.053	C1	C5	H8	110.570
C1	C5	H9	110.570	C1	C6	H10	111.053
C1	C6	H11	110.570	C1	C6	H12	110.570
C2	C1	C5	122.192	C2	C1	C6	122.192
H3	C2	H4	116.351	C5	C1	C6	115.616
H7	C5	H8	108.590	H7	C5	H9	108.590
H8	C5	H9	107.359	H10	C6	H11	108.590
H10	C6	H12	108.590	H11	C6	H12	107.359

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

using model chemistry: BLYP/STO-3G

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	0.009
2	C	-0.167
3	H	0.068
4	H	0.068
5	C	-0.218
6	C	-0.218
7	H	0.077
8	H	0.076
9	H	0.076
10	H	0.077
11	H	0.076
12	H	0.076

<r²>	92.955
(<r²>)^1/2	9.641

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

using model chemistry: BLYP/STO-3G

States and conformations

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