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	hartrees
Energy at 0K	-155.610536
Energy at 298.15K	-155.618474
HF Energy	-155.245341
Nuclear repulsion energy	118.747903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3165	3021	9.78
2	A₁	3154	3010	18.76
3	A₁	3071	2931	17.87
4	A₁	1716	1638	2.83
5	A₁	1601	1528	9.76
6	A₁	1523	1454	0.18
7	A₁	1496	1427	0.99
8	A₁	1134	1082	4.40
9	A₁	790	755	0.00
10	A₁	383	366	0.23
11	A₂	3128	2986	0.00
12	A₂	1577	1505	0.00
13	A₂	1086	1037	0.00
14	A₂	726	693	0.00
15	A₂	180	171	0.00
16	B₁	3131	2989	40.61
17	B₁	1592	1520	16.76
18	B₁	1170	1117	0.99
19	B₁	932	889	50.12
20	B₁	429	409	7.63
21	B₁	198	189	0.63
22	B₂	3248	3100	18.06
23	B₂	3152	3008	17.04
24	B₂	3068	2928	16.96
25	B₂	1594	1521	4.07
26	B₂	1482	1415	9.64
27	B₂	1318	1258	5.99
28	B₂	1032	985	0.38
29	B₂	980	935	0.20
30	B₂	449	428	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.127
C2	0.000	0.000	1.471
H3	0.000	0.924	2.043
H4	0.000	-0.924	2.043
C5	0.000	1.287	-0.689
C6	0.000	-1.287	-0.689
H7	0.000	2.165	-0.034
H8	0.887	1.330	-1.334
H9	-0.887	1.330	-1.334
H10	0.000	-2.165	-0.034
H11	-0.887	-1.330	-1.334
H12	0.887	-1.330	-1.334

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3437	2.1270	2.1270	1.5245	1.5245	2.1712	2.1663	2.1663	2.1712	2.1663	2.1663
C2	1.3437		1.0870	1.0870	2.5148	2.5148	2.6370	3.2289	3.2289	2.6370	3.2289	3.2289
H3	2.1270	1.0870		1.8489	2.7563	3.5152	2.4196	3.5152	3.5152	3.7230	4.1565	4.1565
H4	2.1270	1.0870	1.8489		3.5152	2.7563	3.7230	4.1565	4.1565	2.4196	3.5152	3.5152
C5	1.5245	2.5148	2.7563	3.5152		2.5745	1.0954	1.0974	1.0974	3.5140	2.8380	2.8380
C6	1.5245	2.5148	3.5152	2.7563	2.5745		3.5140	2.8380	2.8380	1.0954	1.0974	1.0974
H7	2.1712	2.6370	2.4196	3.7230	1.0954	3.5140		1.7813	1.7813	4.3303	3.8334	3.8334
H8	2.1663	3.2289	3.5152	4.1565	1.0974	2.8380	1.7813		1.7736	3.8334	3.1977	2.6608
H9	2.1663	3.2289	3.5152	4.1565	1.0974	2.8380	1.7813	1.7736		3.8334	2.6608	3.1977
H10	2.1712	2.6370	3.7230	2.4196	3.5140	1.0954	4.3303	3.8334	3.8334		1.7813	1.7813
H11	2.1663	3.2289	4.1565	3.5152	2.8380	1.0974	3.8334	3.1977	2.6608	1.7813		1.7736
H12	2.1663	3.2289	4.1565	3.5152	2.8380	1.0974	3.8334	2.6608	3.1977	1.7813	1.7736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.745	C1	C2	H4	121.745
C1	C5	H7	110.877	C1	C5	H8	110.370
C1	C5	H9	110.370	C1	C6	H10	110.877
C1	C6	H11	110.370	C1	C6	H12	110.370
C2	C1	C5	122.394	C2	C1	C6	122.394
H3	C2	H4	116.511	C5	C1	C6	115.212
H7	C5	H8	108.659	H7	C5	H9	108.659
H8	C5	H9	107.823	H10	C6	H11	108.659
H10	C6	H12	108.659	H11	C6	H12	107.823

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

using model chemistry: MP2/3-21G

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	ESP
1	C	0.004	0.345
2	C	-0.362	-0.586
3	H	0.171	0.199
4	H	0.171	0.199
5	C	-0.564	-0.485
6	C	-0.564	-0.485
7	H	0.190	0.132
8	H	0.191	0.137
9	H	0.191	0.137
10	H	0.190	0.132
11	H	0.191	0.137
12	H	0.191	0.137

	x	y	z	Total
	0.000	0.000	-0.380	0.380
CHELPG
AIM
ESP	0.006	0.000	-0.370	0.370

<r²>	92.279
(<r²>)^1/2	9.606

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

using model chemistry: MP2/3-21G

States and conformations

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