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	hartrees
Energy at 0K	-156.759108
Energy at 298.15K	-156.766952
HF Energy	-156.138142
Nuclear repulsion energy	119.609064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3179	3011	16.06
2	A₁	3175	3007	13.06
3	A₁	3068	2906	26.86
4	A₁	1728	1636	8.24
5	A₁	1539	1457	15.54
6	A₁	1470	1392	0.63
7	A₁	1443	1367	1.70
8	A₁	1100	1042	3.77
9	A₁	836	792	0.09
10	A₁	381	361	0.22
11	A₂	3136	2971	0.00
12	A₂	1507	1428	0.00
13	A₂	1035	981	0.00
14	A₂	707	670	0.00
15	A₂	160	151	0.00
16	B₁	3138	2972	41.96
17	B₁	1527	1447	23.34
18	B₁	1119	1060	0.03
19	B₁	859	813	52.11
20	B₁	422	400	7.67
21	B₁	201	190	0.62
22	B₂	3273	3099	17.22
23	B₂	3174	3006	19.38
24	B₂	3064	2902	21.20
25	B₂	1524	1444	6.62
26	B₂	1448	1371	15.79
27	B₂	1326	1256	1.99
28	B₂	1003	950	0.00
29	B₂	985	933	0.17
30	B₂	439	415	1.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.120
C2	0.000	0.000	1.461
H3	0.000	0.925	2.028
H4	0.000	-0.925	2.028
C5	0.000	1.274	-0.679
C6	0.000	-1.274	-0.679
H7	0.000	2.155	-0.035
H8	0.879	1.323	-1.330
H9	-0.879	1.323	-1.330
H10	0.000	-2.155	-0.035
H11	-0.879	-1.323	-1.330
H12	0.879	-1.323	-1.330

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3408	2.1205	2.1205	1.5039	1.5039	2.1607	2.1511	2.1511	2.1607	2.1511	2.1511
C2	1.3408		1.0854	1.0854	2.4906	2.4906	2.6236	3.2116	3.2116	2.6236	3.2116	3.2116
H3	2.1205	1.0854		1.8508	2.7297	3.4880	2.4021	3.4943	3.4943	3.7078	4.1361	4.1361
H4	2.1205	1.0854	1.8508		3.4880	2.7297	3.7078	4.1361	4.1361	2.4021	3.4943	3.4943
C5	1.5039	2.4906	2.7297	3.4880		2.5475	1.0915	1.0950	1.0950	3.4888	2.8178	2.8178
C6	1.5039	2.4906	3.4880	2.7297	2.5475		3.4888	2.8178	2.8178	1.0915	1.0950	1.0950
H7	2.1607	2.6236	2.4021	3.7078	1.0915	3.4888		1.7726	1.7726	4.3102	3.8140	3.8140
H8	2.1511	3.2116	3.4943	4.1361	1.0950	2.8178	1.7726		1.7581	3.8140	3.1768	2.6460
H9	2.1511	3.2116	3.4943	4.1361	1.0950	2.8178	1.7726	1.7581		3.8140	2.6460	3.1768
H10	2.1607	2.6236	3.7078	2.4021	3.4888	1.0915	4.3102	3.8140	3.8140		1.7726	1.7726
H11	2.1511	3.2116	4.1361	3.4943	2.8178	1.0950	3.8140	3.1768	2.6460	1.7726		1.7581
H12	2.1511	3.2116	4.1361	3.4943	2.8178	1.0950	3.8140	2.6460	3.1768	1.7726	1.7581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.503	C1	C2	H4	121.503
C1	C5	H7	111.734	C1	C5	H8	110.742
C1	C5	H9	110.742	C1	C6	H10	111.734
C1	C6	H11	110.742	C1	C6	H12	110.742
C2	C1	C5	122.114	C2	C1	C6	122.114
H3	C2	H4	116.995	C5	C1	C6	115.772
H7	C5	H8	108.329	H7	C5	H9	108.329
H8	C5	H9	106.791	H10	C6	H11	108.329
H10	C6	H12	108.329	H11	C6	H12	106.791

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CH2C(CH3)CH3 (1-Propene, 2-methyl-)

using model chemistry: MP2=FULL/6-311G*

States and conformations

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