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	hartrees
Energy at 0K	-156.067369
Energy at 298.15K	-156.075501
Nuclear repulsion energy	119.630778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3326	2994	13.44
2	A₁	3296	2968	38.36
3	A₁	3189	2871	67.28
4	A₁	1854	1670	33.29
5	A₁	1652	1487	20.56
6	A₁	1594	1435	1.52
7	A₁	1569	1413	0.76
8	A₁	1194	1075	2.55
9	A₁	860	774	0.03
10	A₁	408	368	0.33
11	A₂	3247	2923	0.00
12	A₂	1627	1465	0.00
13	A₂	1129	1017	0.00
14	A₂	773	696	0.00
15	A₂	163	146	0.00
16	B₁	3253	2929	94.30
17	B₁	1641	1478	26.64
18	B₁	1238	1115	2.27
19	B₁	1089	981	87.13
20	B₁	487	438	13.24
21	B₁	213	191	0.74
22	B₂	3421	3080	35.07
23	B₂	3292	2964	44.33
24	B₂	3183	2866	35.99
25	B₂	1636	1473	6.83
26	B₂	1568	1412	18.27
27	B₂	1427	1285	5.38
28	B₂	1083	976	0.04
29	B₂	1059	953	0.65
30	B₂	473	426	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.127
C2	0.000	0.000	1.463
H3	0.000	0.914	2.029
H4	0.000	-0.914	2.029
C5	0.000	1.279	-0.683
C6	0.000	-1.279	-0.683
H7	0.000	2.156	-0.048
H8	0.874	1.325	-1.326
H9	-0.874	1.325	-1.326
H10	0.000	-2.156	-0.048
H11	-0.874	-1.325	-1.326
H12	0.874	-1.325	-1.326

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3356	2.1097	2.1097	1.5138	1.5138	2.1631	2.1520	2.1520	2.1631	2.1520	2.1520
C2	1.3356		1.0747	1.0747	2.4977	2.4977	2.6328	3.2089	3.2089	2.6328	3.2089	3.2089
H3	2.1097	1.0747		1.8272	2.7359	3.4870	2.4203	3.4911	3.4911	3.7063	4.1266	4.1266
H4	2.1097	1.0747	1.8272		3.4870	2.7359	3.7063	4.1266	4.1266	2.4203	3.4911	3.4911
C5	1.5138	2.4977	2.7359	3.4870		2.5579	1.0824	1.0865	1.0865	3.4930	2.8209	2.8209
C6	1.5138	2.4977	3.4870	2.7359	2.5579		3.4930	2.8209	2.8209	1.0824	1.0865	1.0865
H7	2.1631	2.6328	2.4203	3.7063	1.0824	3.4930		1.7573	1.7573	4.3120	3.8095	3.8095
H8	2.1520	3.2089	3.4911	4.1266	1.0865	2.8209	1.7573		1.7487	3.8095	3.1744	2.6493
H9	2.1520	3.2089	3.4911	4.1266	1.0865	2.8209	1.7573	1.7487		3.8095	2.6493	3.1744
H10	2.1631	2.6328	3.7063	2.4203	3.4930	1.0824	4.3120	3.8095	3.8095		1.7573	1.7573
H11	2.1520	3.2089	4.1266	3.4911	2.8209	1.0865	3.8095	3.1744	2.6493	1.7573		1.7487
H12	2.1520	3.2089	4.1266	3.4911	2.8209	1.0865	3.8095	2.6493	3.1744	1.7573	1.7487

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.777	C1	C2	H4	121.777
C1	C5	H7	111.784	C1	C5	H8	110.628
C1	C5	H9	110.628	C1	C6	H10	111.784
C1	C6	H11	110.628	C1	C6	H12	110.628
C2	C1	C5	122.340	C2	C1	C6	122.340
H3	C2	H4	116.447	C5	C1	C6	115.319
H7	C5	H8	108.237	H7	C5	H9	108.237
H8	C5	H9	107.167	H10	C6	H11	108.237
H10	C6	H12	108.237	H11	C6	H12	107.167

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

using model chemistry: HF/SDD

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	0.452
2	C	-0.638
3	H	0.190
4	H	0.190
5	C	-0.655
6	C	-0.655
7	H	0.196
8	H	0.181
9	H	0.181
10	H	0.196
11	H	0.181
12	H	0.181

<r²>	91.340
(<r²>)^1/2	9.557

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

using model chemistry: HF/SDD

States and conformations

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