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	hartrees
Energy at 0K	-27.387384
Energy at 298.15K	-27.395102
Nuclear repulsion energy	66.718030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3138	3030	14.24
2	A₁	3120	3013	30.09
3	A₁	3027	2923	52.59
4	A₁	1727	1668	20.87
5	A₁	1498	1447	14.25
6	A₁	1439	1389	0.79
7	A₁	1407	1358	0.01
8	A₁	1068	1031	5.24
9	A₁	809	781	0.09
10	A₁	358	345	0.36
11	A₂	3072	2967	0.00
12	A₂	1472	1421	0.00
13	A₂	1010	975	0.00
14	A₂	690	667	0.00
15	A₂	167	161	0.00
16	B₁	3075	2969	82.88
17	B₁	1487	1436	21.73
18	B₁	1082	1045	0.81
19	B₁	909	877	88.29
20	B₁	401	387	7.99
21	B₁	204	197	0.56
22	B₂	3204	3094	26.37
23	B₂	3117	3011	34.90
24	B₂	3024	2920	27.09
25	B₂	1483	1432	3.97
26	B₂	1415	1366	8.69
27	B₂	1283	1239	6.29
28	B₂	962	929	0.04
29	B₂	948	915	0.18
30	B₂	413	399	1.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.138
C2	0.000	0.000	1.504
H3	0.000	0.935	2.077
H4	0.000	-0.935	2.077
C5	0.000	1.295	-0.671
C6	0.000	-1.295	-0.671
H7	0.000	2.185	-0.020
H8	0.888	1.346	-1.330
H9	-0.888	1.346	-1.330
H10	0.000	-2.185	-0.020
H11	-0.888	-1.346	-1.330
H12	0.888	-1.346	-1.330

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3654	2.1519	2.1519	1.5268	1.5268	2.1904	2.1807	2.1807	2.1904	2.1807	2.1807
C2	1.3654		1.0962	1.0962	2.5307	2.5307	2.6636	3.2602	3.2602	2.6636	3.2602	3.2602
H3	2.1519	1.0962		1.8691	2.7709	3.5382	2.4413	3.5442	3.5442	3.7585	4.1945	4.1945
H4	2.1519	1.0962	1.8691		3.5382	2.7709	3.7585	4.1945	4.1945	2.4413	3.5442	3.5442
C5	1.5268	2.5307	2.7709	3.5382		2.5899	1.1021	1.1069	1.1069	3.5399	2.8632	2.8632
C6	1.5268	2.5307	3.5382	2.7709	2.5899		3.5399	2.8632	2.8632	1.1021	1.1069	1.1069
H7	2.1904	2.6636	2.4413	3.7585	1.1021	3.5399		1.7906	1.7906	4.3693	3.8691	3.8691
H8	2.1807	3.2602	3.5442	4.1945	1.1069	2.8632	1.7906		1.7757	3.8691	3.2252	2.6923
H9	2.1807	3.2602	3.5442	4.1945	1.1069	2.8632	1.7906	1.7757		3.8691	2.6923	3.2252
H10	2.1904	2.6636	3.7585	2.4413	3.5399	1.1021	4.3693	3.8691	3.8691		1.7906	1.7906
H11	2.1807	3.2602	4.1945	3.5442	2.8632	1.1069	3.8691	3.2252	2.6923	1.7906		1.7757
H12	2.1807	3.2602	4.1945	3.5442	2.8632	1.1069	3.8691	2.6923	3.2252	1.7906	1.7757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.515	C1	C2	H4	121.515
C1	C5	H7	111.838	C1	C5	H8	110.776
C1	C5	H9	110.776	C1	C6	H10	111.838
C1	C6	H11	110.776	C1	C6	H12	110.776
C2	C1	C5	121.993	C2	C1	C6	121.993
H3	C2	H4	116.970	C5	C1	C6	116.014
H7	C5	H8	108.303	H7	C5	H9	108.303
H8	C5	H9	106.657	H10	C6	H11	108.303
H10	C6	H12	108.303	H11	C6	H12	106.657

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

using model chemistry: B3LYP/CEP-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	0.337
2	C	-0.706
3	H	0.224
4	H	0.224
5	C	-0.498
6	C	-0.498
7	H	0.183
8	H	0.138
9	H	0.138
10	H	0.183
11	H	0.138
12	H	0.138

<r²>	79.891
(<r²>)^1/2	8.938

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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