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	hartrees
Energy at 0K	-157.178879
Energy at 298.15K	-157.186737
Nuclear repulsion energy	119.612412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3159	3028	8.62
2	A₁	3145	3014	19.87
3	A₁	3038	2912	36.79
4	A₁	1746	1674	15.71
5	A₁	1509	1446	10.94
6	A₁	1450	1389	0.70
7	A₁	1416	1357	0.24
8	A₁	1085	1039	4.64
9	A₁	828	794	0.12
10	A₁	376	360	0.34
11	A₂	3092	2964	0.00
12	A₂	1477	1415	0.00
13	A₂	1021	978	0.00
14	A₂	703	674	0.00
15	A₂	170	163	0.00
16	B₁	3095	2966	46.49
17	B₁	1496	1434	16.84
18	B₁	1105	1059	1.10
19	B₁	916	877	44.60
20	B₁	437	419	6.43
21	B₁	209	200	0.71
22	B₂	3246	3111	19.05
23	B₂	3143	3012	22.25
24	B₂	3033	2907	20.08
25	B₂	1490	1428	4.38
26	B₂	1418	1359	9.80
27	B₂	1306	1251	3.46
28	B₂	988	947	0.10
29	B₂	963	923	0.22
30	B₂	435	417	1.40

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	2.028
H4	0.000	-0.925	2.028
C5	0.000	1.274	-0.677
C6	0.000	-1.274	-0.677
H7	0.000	2.158	-0.035
H8	0.879	1.327	-1.333
H9	-0.879	1.327	-1.333
H10	0.000	-2.158	-0.035
H11	-0.879	-1.327	-1.333
H12	0.879	-1.327	-1.333

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3362	2.1189	2.1189	1.5037	1.5037	2.1640	2.1561	2.1561	2.1640	2.1561	2.1561
C2	1.3362		1.0869	1.0869	2.4862	2.4862	2.6241	3.2124	3.2124	2.6241	3.2124	3.2124
H3	2.1189	1.0869		1.8507	2.7274	3.4863	2.4030	3.4966	3.4966	3.7099	4.1399	4.1399
H4	2.1189	1.0869	1.8507		3.4863	2.7274	3.7099	4.1399	4.1399	2.4030	3.4966	3.4966
C5	1.5037	2.4862	2.7274	3.4863		2.5481	1.0930	1.0977	1.0977	3.4919	2.8228	2.8228
C6	1.5037	2.4862	3.4863	2.7274	2.5481		3.4919	2.8228	2.8228	1.0930	1.0977	1.0977
H7	2.1640	2.6241	2.4030	3.7099	1.0930	3.4919		1.7742	1.7742	4.3166	3.8217	3.8217
H8	2.1561	3.2124	3.4966	4.1399	1.0977	2.8228	1.7742		1.7579	3.8217	3.1837	2.6544
H9	2.1561	3.2124	3.4966	4.1399	1.0977	2.8228	1.7742	1.7579		3.8217	2.6544	3.1837
H10	2.1640	2.6241	3.7099	2.4030	3.4919	1.0930	4.3166	3.8217	3.8217		1.7742	1.7742
H11	2.1561	3.2124	4.1399	3.4966	2.8228	1.0977	3.8217	3.1837	2.6544	1.7742		1.7579
H12	2.1561	3.2124	4.1399	3.4966	2.8228	1.0977	3.8217	2.6544	3.1837	1.7742	1.7579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.634	C1	C2	H4	121.634
C1	C5	H7	111.913	C1	C5	H8	110.989
C1	C5	H9	110.989	C1	C6	H10	111.913
C1	C6	H11	110.989	C1	C6	H12	110.989
C2	C1	C5	122.088	C2	C1	C6	122.088
H3	C2	H4	116.732	C5	C1	C6	115.825
H7	C5	H8	108.164	H7	C5	H9	108.164
H8	C5	H9	106.404	H10	C6	H11	108.164
H10	C6	H12	108.164	H11	C6	H12	106.404

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

using model chemistry: B3PW91/6-31G**

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	0.143
2	C	-0.327
3	H	0.112
4	H	0.112
5	C	-0.427
6	C	-0.427
7	H	0.135
8	H	0.136
9	H	0.136
10	H	0.135
11	H	0.136
12	H	0.136

<r²>	90.605
(<r²>)^1/2	9.519

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

using model chemistry: B3PW91/6-31G**

States and conformations

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