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	hartrees
Energy at 0K	-155.247137
Energy at 298.15K	-155.255291
Nuclear repulsion energy	120.029178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3312	2989	9.63
2	A₁	3268	2950	16.99
3	A₁	3187	2877	36.15
4	A₁	1875	1692	14.05
5	A₁	1672	1509	12.23
6	A₁	1607	1450	0.90
7	A₁	1583	1429	0.92
8	A₁	1209	1091	3.76
9	A₁	833	752	0.00
10	A₁	405	366	0.34
11	A₂	3223	2909	0.00
12	A₂	1647	1486	0.00
13	A₂	1145	1033	0.00
14	A₂	779	704	0.00
15	A₂	176	159	0.00
16	B₁	3229	2915	53.16
17	B₁	1666	1504	20.56
18	B₁	1244	1123	4.56
19	B₁	1091	985	62.78
20	B₁	477	431	10.81
21	B₁	212	191	0.65
22	B₂	3383	3053	20.33
23	B₂	3266	2948	26.24
24	B₂	3181	2871	16.08
25	B₂	1657	1495	5.39
26	B₂	1569	1417	11.57
27	B₂	1405	1268	6.99
28	B₂	1100	993	0.76
29	B₂	1029	929	0.39
30	B₂	480	433	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.134
C2	0.000	0.000	1.452
H3	0.000	0.912	2.019
H4	0.000	-0.912	2.019
C5	0.000	1.276	-0.681
C6	0.000	-1.276	-0.681
H7	0.000	2.153	-0.047
H8	0.876	1.314	-1.322
H9	-0.876	1.314	-1.322
H10	0.000	-2.153	-0.047
H11	-0.876	-1.314	-1.322
H12	0.876	-1.314	-1.322

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3180	2.0935	2.0935	1.5141	1.5141	2.1609	2.1484	2.1484	2.1609	2.1484	2.1484
C2	1.3180		1.0739	1.0739	2.4858	2.4858	2.6239	3.1926	3.1926	2.6239	3.1926	3.1926
H3	2.0935	1.0739		1.8249	2.7240	3.4751	2.4096	3.4772	3.4772	3.6967	4.1092	4.1092
H4	2.0935	1.0739	1.8249		3.4751	2.7240	3.6967	4.1092	4.1092	2.4096	3.4772	3.4772
C5	1.5141	2.4858	2.7240	3.4751		2.5515	1.0826	1.0864	1.0864	3.4871	2.8078	2.8078
C6	1.5141	2.4858	3.4751	2.7240	2.5515		3.4871	2.8078	2.8078	1.0826	1.0864	1.0864
H7	2.1609	2.6239	2.4096	3.6967	1.0826	3.4871		1.7604	1.7604	4.3065	3.7965	3.7965
H8	2.1484	3.1926	3.4772	4.1092	1.0864	2.8078	1.7604		1.7522	3.7965	3.1580	2.6273
H9	2.1484	3.1926	3.4772	4.1092	1.0864	2.8078	1.7604	1.7522		3.7965	2.6273	3.1580
H10	2.1609	2.6239	3.6967	2.4096	3.4871	1.0826	4.3065	3.7965	3.7965		1.7604	1.7604
H11	2.1484	3.1926	4.1092	3.4772	2.8078	1.0864	3.7965	3.1580	2.6273	1.7604		1.7522
H12	2.1484	3.1926	4.1092	3.4772	2.8078	1.0864	3.7965	2.6273	3.1580	1.7604	1.7522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.821	C1	C2	H4	121.821
C1	C5	H7	111.560	C1	C5	H8	110.325
C1	C5	H9	110.325	C1	C6	H10	111.560
C1	C6	H11	110.325	C1	C6	H12	110.325
C2	C1	C5	122.589	C2	C1	C6	122.589
H3	C2	H4	116.359	C5	C1	C6	114.822
H7	C5	H8	108.508	H7	C5	H9	108.508
H8	C5	H9	107.497	H10	C6	H11	108.508
H10	C6	H12	108.508	H11	C6	H12	107.497

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

using model chemistry: HF/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	CHELPG
1	C	-0.058	0.246
2	C	-0.416	-0.639
3	H	0.201	0.216
4	H	0.201	0.216
5	C	-0.599	-0.251
6	C	-0.599	-0.251
7	H	0.212	0.077
8	H	0.211	0.077
9	H	0.211	0.077
10	H	0.212	0.077
11	H	0.211	0.077
12	H	0.211	0.077

<r²>	90.695
(<r²>)^1/2	9.523

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

using model chemistry: HF/3-21G*

States and conformations

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