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	hartrees
Energy at 0K	-157.199371
Energy at 298.15K	-157.207238
Nuclear repulsion energy	119.726864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3176	3022	8.81
2	A₁	3160	3007	18.41
3	A₁	3053	2906	39.69
4	A₁	1744	1660	24.18
5	A₁	1509	1436	16.77
6	A₁	1450	1380	1.98
7	A₁	1416	1348	0.76
8	A₁	1086	1033	3.34
9	A₁	833	793	0.16
10	A₁	379	361	0.28
11	A₂	3110	2960	0.00
12	A₂	1477	1406	0.00
13	A₂	1020	971	0.00
14	A₂	701	667	0.00
15	A₂	165	157	0.00
16	B₁	3112	2962	36.63
17	B₁	1496	1424	22.21
18	B₁	1106	1053	0.00
19	B₁	922	878	60.19
20	B₁	440	419	10.20
21	B₁	209	199	0.81
22	B₂	3263	3105	17.82
23	B₂	3158	3006	25.12
24	B₂	3048	2902	22.87
25	B₂	1488	1417	5.77
26	B₂	1421	1352	15.21
27	B₂	1311	1247	2.63
28	B₂	991	943	0.11
29	B₂	965	918	0.10
30	B₂	437	416	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.121
C2	0.000	0.000	1.458
H3	0.000	0.925	2.026
H4	0.000	-0.925	2.026
C5	0.000	1.272	-0.678
C6	0.000	-1.272	-0.678
H7	0.000	2.155	-0.037
H8	0.879	1.322	-1.331
H9	-0.879	1.322	-1.331
H10	0.000	-2.155	-0.037
H11	-0.879	-1.322	-1.331
H12	0.879	-1.322	-1.331

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3368	2.1175	2.1175	1.5020	1.5020	2.1611	2.1515	2.1515	2.1611	2.1515	2.1515
C2	1.3368		1.0856	1.0856	2.4860	2.4860	2.6230	3.2093	3.2093	2.6230	3.2093	3.2093
H3	2.1175	1.0856		1.8504	2.7261	3.4839	2.4017	3.4929	3.4929	3.7074	4.1342	4.1342
H4	2.1175	1.0856	1.8504		3.4839	2.7261	3.7074	4.1342	4.1342	2.4017	3.4929	3.4929
C5	1.5020	2.4860	2.7261	3.4839		2.5435	1.0918	1.0961	1.0961	3.4866	2.8151	2.8151
C6	1.5020	2.4860	3.4839	2.7261	2.5435		3.4866	2.8151	2.8151	1.0918	1.0961	1.0961
H7	2.1611	2.6230	2.4017	3.7074	1.0918	3.4866		1.7729	1.7729	4.3107	3.8128	3.8128
H8	2.1515	3.2093	3.4929	4.1342	1.0961	2.8151	1.7729		1.7574	3.8128	3.1742	2.6433
H9	2.1515	3.2093	3.4929	4.1342	1.0961	2.8151	1.7729	1.7574		3.8128	2.6433	3.1742
H10	2.1611	2.6230	3.7074	2.4017	3.4866	1.0918	4.3107	3.8128	3.8128		1.7729	1.7729
H11	2.1515	3.2093	4.1342	3.4929	2.8151	1.0961	3.8128	3.1742	2.6433	1.7729		1.7574
H12	2.1515	3.2093	4.1342	3.4929	2.8151	1.0961	3.8128	2.6433	3.1742	1.7729	1.7574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.542	C1	C2	H4	121.542
C1	C5	H7	111.884	C1	C5	H8	110.837
C1	C5	H9	110.837	C1	C6	H10	111.884
C1	C6	H11	110.837	C1	C6	H12	110.837
C2	C1	C5	122.147	C2	C1	C6	122.147
H3	C2	H4	116.915	C5	C1	C6	115.705
H7	C5	H8	108.254	H7	C5	H9	108.254
H8	C5	H9	106.577	H10	C6	H11	108.254
H10	C6	H12	108.254	H11	C6	H12	106.577

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

using model chemistry: mPW1PW91/6-31+G**

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	0.493
2	C	-0.443
3	H	0.148
4	H	0.148
5	C	-0.689
6	C	-0.689
7	H	0.170
8	H	0.173
9	H	0.173
10	H	0.170
11	H	0.173
12	H	0.173

<r²>	90.855
(<r²>)^1/2	9.532

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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