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	hartrees
Energy at 0K	-157.294664
Energy at 298.15K	-157.302513
HF Energy	-157.294664
Nuclear repulsion energy	119.771956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3125	3025	11.13
2	A₁	3104	3005	23.39
3	A₁	3010	2915	42.50
4	A₁	1715	1660	18.99
5	A₁	1510	1462	12.87
6	A₁	1448	1402	0.72
7	A₁	1416	1371	0.08
8	A₁	1084	1050	2.92
9	A₁	812	786	0.17
10	A₁	361	350	0.27
11	A₂	3049	2953	0.00
12	A₂	1480	1433	0.00
13	A₂	1021	989	0.00
14	A₂	703	681	0.00
15	A₂	172	166	0.00
16	B₁	3052	2955	50.17
17	B₁	1498	1450	13.98
18	B₁	1104	1069	0.05
19	B₁	921	891	43.03
20	B₁	432	418	7.16
21	B₁	207	200	0.39
22	B₂	3204	3102	21.95
23	B₂	3102	3003	28.64
24	B₂	3005	2910	20.89
25	B₂	1493	1446	3.19
26	B₂	1411	1366	6.57
27	B₂	1298	1256	3.55
28	B₂	983	952	0.45
29	B₂	957	927	0.02
30	B₂	420	407	1.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.110
C2	0.000	0.000	1.445
H3	0.000	0.924	2.014
H4	0.000	-0.924	2.014
C5	0.000	1.290	-0.672
C6	0.000	-1.290	-0.672
H7	0.000	2.149	-0.003
H8	0.879	1.352	-1.322
H9	-0.879	1.352	-1.322
H10	0.000	-2.149	-0.003
H11	-0.879	-1.352	-1.322
H12	0.879	-1.352	-1.322

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3350	2.1158	2.1158	1.5087	1.5087	2.1523	2.1562	2.1562	2.1523	2.1562	2.1562
C2	1.3350		1.0846	1.0846	2.4796	2.4796	2.5916	3.2022	3.2022	2.5916	3.2022	3.2022
H3	2.1158	1.0846		1.8472	2.7112	3.4807	2.3600	3.4757	3.4757	3.6756	4.1320	4.1320
H4	2.1158	1.0846	1.8472		3.4807	2.7112	3.6756	4.1320	4.1320	2.3600	3.4757	3.4757
C5	1.5087	2.4796	2.7112	3.4807		2.5797	1.0895	1.0943	1.0943	3.5037	2.8584	2.8584
C6	1.5087	2.4796	3.4807	2.7112	2.5797		3.5037	2.8584	2.8584	1.0895	1.0943	1.0943
H7	2.1523	2.5916	2.3600	3.6756	1.0895	3.5037		1.7742	1.7742	4.2986	3.8428	3.8428
H8	2.1562	3.2022	3.4757	4.1320	1.0943	2.8584	1.7742		1.7577	3.8428	3.2243	2.7031
H9	2.1562	3.2022	3.4757	4.1320	1.0943	2.8584	1.7742	1.7577		3.8428	2.7031	3.2243
H10	2.1523	2.5916	3.6756	2.3600	3.5037	1.0895	4.2986	3.8428	3.8428		1.7742	1.7742
H11	2.1562	3.2022	4.1320	3.4757	2.8584	1.0943	3.8428	3.2243	2.7031	1.7742		1.7577
H12	2.1562	3.2022	4.1320	3.4757	2.8584	1.0943	3.8428	2.7031	3.2243	1.7742	1.7577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.621	C1	C2	H4	121.621
C1	C5	H7	110.827	C1	C5	H8	110.850
C1	C5	H9	110.850	C1	C6	H10	110.827
C1	C6	H11	110.850	C1	C6	H12	110.850
C2	C1	C5	121.250	C2	C1	C6	121.250
H3	C2	H4	116.758	C5	C1	C6	117.500
H7	C5	H8	108.668	H7	C5	H9	108.668
H8	C5	H9	106.855	H10	C6	H11	108.668
H10	C6	H12	108.668	H11	C6	H12	106.855

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

using model chemistry: TPSSh/cc-pVTZ

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	0.046
2	C	-0.249
3	H	0.081
4	H	0.081
5	C	-0.191
6	C	-0.191
7	H	0.071
8	H	0.071
9	H	0.071
10	H	0.071
11	H	0.071
12	H	0.071

<r²>	90.763
(<r²>)^1/2	9.527

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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