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	hartrees
Energy at 0K	-156.774818
Energy at 298.15K	-156.782723
HF Energy	-156.131530
Nuclear repulsion energy	119.818264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3207	3029	5.02
2	A₁	3202	3024	12.53
3	A₁	3091	2920	18.41
4	A₁	1730	1634	7.58
5	A₁	1528	1443	10.72
6	A₁	1466	1385	0.10
7	A₁	1427	1348	0.37
8	A₁	1095	1034	4.78
9	A₁	834	788	0.13
10	A₁	372	352	0.26
11	A₂	3164	2988	0.00
12	A₂	1499	1416	0.00
13	A₂	1034	977	0.00
14	A₂	719	679	0.00
15	A₂	177	167	0.00
16	B₁	3166	2990	25.56
17	B₁	1518	1434	14.74
18	B₁	1112	1050	0.18
19	B₁	930	879	37.38
20	B₁	433	409	5.05
21	B₁	216	204	0.52
22	B₂	3302	3119	9.46
23	B₂	3201	3023	12.65
24	B₂	3088	2917	14.52
25	B₂	1514	1430	3.83
26	B₂	1429	1350	9.04
27	B₂	1319	1246	2.71
28	B₂	1003	947	0.03
29	B₂	974	920	0.18
30	B₂	430	406	1.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.111
C2	0.000	0.000	1.450
H3	0.000	0.922	2.017
H4	0.000	-0.922	2.017
C5	0.000	1.287	-0.674
C6	0.000	-1.287	-0.674
H7	0.000	2.149	-0.009
H8	0.878	1.345	-1.322
H9	-0.878	1.345	-1.322
H10	0.000	-2.149	-0.009
H11	-0.878	-1.345	-1.322
H12	0.878	-1.345	-1.322

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3392	2.1182	2.1182	1.5071	1.5071	2.1523	2.1527	2.1527	2.1523	2.1527	2.1527
C2	1.3392		1.0831	1.0831	2.4834	2.4834	2.5976	3.2040	3.2040	2.5976	3.2040	3.2040
H3	2.1182	1.0831		1.8450	2.7161	3.4821	2.3689	3.4790	3.4790	3.6799	4.1313	4.1313
H4	2.1182	1.0831	1.8450		3.4821	2.7161	3.6799	4.1313	4.1313	2.3689	3.4790	3.4790
C5	1.5071	2.4834	2.7161	3.4821		2.5732	1.0890	1.0927	1.0927	3.4993	2.8492	2.8492
C6	1.5071	2.4834	3.4821	2.7161	2.5732		3.4993	2.8492	2.8492	1.0890	1.0927	1.0927
H7	2.1523	2.5976	2.3689	3.6799	1.0890	3.4993		1.7721	1.7721	4.2980	3.8347	3.8347
H8	2.1527	3.2040	3.4790	4.1313	1.0927	2.8492	1.7721		1.7554	3.8347	3.2128	2.6908
H9	2.1527	3.2040	3.4790	4.1313	1.0927	2.8492	1.7721	1.7554		3.8347	2.6908	3.2128
H10	2.1523	2.5976	3.6799	2.3689	3.4993	1.0890	4.2980	3.8347	3.8347		1.7721	1.7721
H11	2.1527	3.2040	4.1313	3.4790	2.8492	1.0927	3.8347	3.2128	2.6908	1.7721		1.7554
H12	2.1527	3.2040	4.1313	3.4790	2.8492	1.0927	3.8347	2.6908	3.2128	1.7721	1.7554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.600	C1	C2	H4	121.600
C1	C5	H7	110.981	C1	C5	H8	110.784
C1	C5	H9	110.784	C1	C6	H10	110.981
C1	C6	H11	110.784	C1	C6	H12	110.784
C2	C1	C5	121.385	C2	C1	C6	121.385
H3	C2	H4	116.799	C5	C1	C6	117.229
H7	C5	H8	108.638	H7	C5	H9	108.638
H8	C5	H9	106.888	H10	C6	H11	108.638
H10	C6	H12	108.638	H11	C6	H12	106.888

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

using model chemistry: MP2/6-31G(2df,p)

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

using model chemistry: MP2/6-31G(2df,p)

States and conformations

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