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	hartrees
Energy at 0K	-157.294276
Energy at 298.15K	-157.302162
HF Energy	-157.294276
Nuclear repulsion energy	119.876251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3134	3017	8.97
2	A₁	3107	2991	18.90
3	A₁	3017	2904	40.94
4	A₁	1717	1653	22.28
5	A₁	1503	1447	13.96
6	A₁	1446	1392	1.41
7	A₁	1416	1363	0.37
8	A₁	1085	1045	2.87
9	A₁	816	785	0.20
10	A₁	380	366	0.33
11	A₂	3053	2938	0.00
12	A₂	1472	1417	0.00
13	A₂	1022	984	0.00
14	A₂	704	678	0.00
15	A₂	170	164	0.00
16	B₁	3055	2941	41.97
17	B₁	1490	1434	15.99
18	B₁	1108	1067	0.00
19	B₁	926	891	46.53
20	B₁	443	426	8.25
21	B₁	210	202	0.45
22	B₂	3213	3093	17.95
23	B₂	3105	2989	26.00
24	B₂	3011	2899	18.18
25	B₂	1484	1429	3.98
26	B₂	1411	1359	9.02
27	B₂	1299	1250	3.43
28	B₂	989	952	0.45
29	B₂	962	926	0.06
30	B₂	440	424	1.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.113
C2	0.000	0.000	1.447
H3	0.000	0.922	2.015
H4	0.000	-0.922	2.015
C5	0.000	1.287	-0.673
C6	0.000	-1.287	-0.673
H7	0.000	2.150	-0.011
H8	0.877	1.346	-1.322
H9	-0.877	1.346	-1.322
H10	0.000	-2.150	-0.011
H11	-0.877	-1.346	-1.322
H12	0.877	-1.346	-1.322

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3333	2.1130	2.1130	1.5081	1.5081	2.1538	2.1544	2.1544	2.1538	2.1544	2.1544
C2	1.3333		1.0826	1.0826	2.4797	2.4797	2.5978	3.2012	3.2012	2.5978	3.2012	3.2012
H3	2.1130	1.0826		1.8431	2.7126	3.4787	2.3694	3.4764	3.4764	3.6797	4.1287	4.1287
H4	2.1130	1.0826	1.8431		3.4787	2.7126	3.6797	4.1287	4.1287	2.3694	3.4764	3.4764
C5	1.5081	2.4797	2.7126	3.4787		2.5736	1.0879	1.0929	1.0929	3.5001	2.8498	2.8498
C6	1.5081	2.4797	3.4787	2.7126	2.5736		3.5001	2.8498	2.8498	1.0879	1.0929	1.0929
H7	2.1538	2.5978	2.3694	3.6797	1.0879	3.5001		1.7708	1.7708	4.3003	3.8353	3.8353
H8	2.1544	3.2012	3.4764	4.1287	1.0929	2.8498	1.7708		1.7544	3.8353	3.2128	2.6915
H9	2.1544	3.2012	3.4764	4.1287	1.0929	2.8498	1.7708	1.7544		3.8353	2.6915	3.2128
H10	2.1538	2.5978	3.6797	2.3694	3.5001	1.0879	4.3003	3.8353	3.8353		1.7708	1.7708
H11	2.1544	3.2012	4.1287	3.4764	2.8498	1.0929	3.8353	3.2128	2.6915	1.7708		1.7544
H12	2.1544	3.2012	4.1287	3.4764	2.8498	1.0929	3.8353	2.6915	3.2128	1.7708	1.7544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.655	C1	C2	H4	121.655
C1	C5	H7	111.095	C1	C5	H8	110.842
C1	C5	H9	110.842	C1	C6	H10	111.095
C1	C6	H11	110.842	C1	C6	H12	110.842
C2	C1	C5	121.431	C2	C1	C6	121.431
H3	C2	H4	116.691	C5	C1	C6	117.138
H7	C5	H8	108.579	H7	C5	H9	108.579
H8	C5	H9	106.766	H10	C6	H11	108.579
H10	C6	H12	108.579	H11	C6	H12	106.766

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

using model chemistry: B3LYP/Def2TZVPP

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	0.004
2	C	-0.229
3	H	0.085
4	H	0.085
5	C	-0.217
6	C	-0.217
7	H	0.078
8	H	0.083
9	H	0.083
10	H	0.078
11	H	0.083
12	H	0.083

<r²>	90.882
(<r²>)^1/2	9.533

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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