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	hartrees
Energy at 0K	-157.013224
Energy at 298.15K	-157.021121
HF Energy	-156.841865
Nuclear repulsion energy	119.522270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3187	3025	9.40
2	A₁	3162	3001	22.19
3	A₁	3066	2910	35.49
4	A₁	1749	1660	10.63
5	A₁	1552	1473	9.48
6	A₁	1488	1412	0.24
7	A₁	1458	1384	0.00
8	A₁	1110	1053	3.72
9	A₁	830	787	0.05
10	A₁	380	360	0.24
11	A₂	3115	2957	0.00
12	A₂	1522	1444	0.00
13	A₂	1048	995	0.00
14	A₂	716	680	0.00
15	A₂	176	167	0.00
16	B₁	3119	2960	51.29
17	B₁	1538	1460	15.06
18	B₁	1135	1077	0.34
19	B₁	918	871	44.14
20	B₁	435	413	4.97
21	B₁	212	201	0.52
22	B₂	3268	3102	20.57
23	B₂	3160	3000	23.02
24	B₂	3061	2905	19.45
25	B₂	1537	1459	4.04
26	B₂	1458	1384	6.32
27	B₂	1329	1261	3.53
28	B₂	1005	954	0.09
29	B₂	988	938	0.13
30	B₂	439	417	1.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.112
C2	0.000	0.000	1.453
H3	0.000	0.923	2.025
H4	0.000	-0.923	2.025
C5	0.000	1.290	-0.676
C6	0.000	-1.290	-0.676
H7	0.000	2.157	-0.014
H8	0.879	1.352	-1.327
H9	-0.879	1.352	-1.327
H10	0.000	-2.157	-0.014
H11	-0.879	-1.352	-1.327
H12	0.879	-1.352	-1.327

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3408	2.1235	2.1235	1.5119	1.5119	2.1607	2.1614	2.1614	2.1607	2.1614	2.1614
C2	1.3408		1.0855	1.0855	2.4895	2.4895	2.6085	3.2138	3.2138	2.6085	3.2138	3.2138
H3	2.1235	1.0855		1.8456	2.7257	3.4916	2.3830	3.4914	3.4914	3.6933	4.1450	4.1450
H4	2.1235	1.0855	1.8456		3.4916	2.7257	3.6933	4.1450	4.1450	2.3830	3.4914	3.4914
C5	1.5119	2.4895	2.7257	3.4916		2.5802	1.0910	1.0955	1.0955	3.5102	2.8596	2.8596
C6	1.5119	2.4895	3.4916	2.7257	2.5802		3.5102	2.8596	2.8596	1.0910	1.0955	1.0955
H7	2.1607	2.6085	2.3830	3.6933	1.0910	3.5102		1.7734	1.7734	4.3141	3.8485	3.8485
H8	2.1614	3.2138	3.4914	4.1450	1.0955	2.8596	1.7734		1.7581	3.8485	3.2254	2.7041
H9	2.1614	3.2138	3.4914	4.1450	1.0955	2.8596	1.7734	1.7581		3.8485	2.7041	3.2254
H10	2.1607	2.6085	3.6933	2.3830	3.5102	1.0910	4.3141	3.8485	3.8485		1.7734	1.7734
H11	2.1614	3.2138	4.1450	3.4914	2.8596	1.0955	3.8485	3.2254	2.7041	1.7734		1.7581
H12	2.1614	3.2138	4.1450	3.4914	2.8596	1.0955	3.8485	2.7041	3.2254	1.7734	1.7581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.778	C1	C2	H4	121.778
C1	C5	H7	111.190	C1	C5	H8	110.978
C1	C5	H9	110.978	C1	C6	H10	111.190
C1	C6	H11	110.978	C1	C6	H12	110.978
C2	C1	C5	121.429	C2	C1	C6	121.429
H3	C2	H4	116.445	C5	C1	C6	117.143
H7	C5	H8	108.402	H7	C5	H9	108.402
H8	C5	H9	106.731	H10	C6	H11	108.402
H10	C6	H12	108.402	H11	C6	H12	106.731

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

using model chemistry: B2PLYP/6-31G*

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	0.197
2	C	-0.398
3	H	0.139
4	H	0.139
5	C	-0.513
6	C	-0.513
7	H	0.159
8	H	0.158
9	H	0.158
10	H	0.159
11	H	0.158
12	H	0.158

<r²>	90.988
(<r²>)^1/2	9.539

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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