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	hartrees
Energy at 0K	-156.173582
Energy at 298.15K	-156.181750
HF Energy	-156.173582
Nuclear repulsion energy	120.385167

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3279	2972	10.62
2	A₁	3240	2937	26.22
3	A₁	3154	2859	54.06
4	A₁	1851	1678	30.91
5	A₁	1620	1468	13.77
6	A₁	1565	1418	0.61
7	A₁	1533	1389	0.36
8	A₁	1175	1065	1.84
9	A₁	857	776	0.04
10	A₁	404	366	0.40
11	A₂	3189	2890	0.00
12	A₂	1590	1441	0.00
13	A₂	1107	1003	0.00
14	A₂	767	695	0.00
15	A₂	183	166	0.00
16	B₁	3194	2895	64.22
17	B₁	1607	1457	15.03
18	B₁	1208	1095	0.15
19	B₁	1042	945	57.05
20	B₁	480	435	8.54
21	B₁	230	208	0.33
22	B₂	3354	3040	22.61
23	B₂	3238	2935	35.14
24	B₂	3148	2853	21.10
25	B₂	1601	1451	3.85
26	B₂	1539	1395	5.99
27	B₂	1398	1267	2.64
28	B₂	1062	962	0.27
29	B₂	1033	936	0.00
30	B₂	471	427	1.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.119
C2	0.000	0.000	1.437
H3	0.000	0.914	2.000
H4	0.000	-0.914	2.000
C5	0.000	1.285	-0.670
C6	0.000	-1.285	-0.670
H7	0.000	2.147	-0.020
H8	0.871	1.341	-1.314
H9	-0.871	1.341	-1.314
H10	0.000	-2.147	-0.020
H11	-0.871	-1.341	-1.314
H12	0.871	-1.341	-1.314

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3181	2.0912	2.0912	1.5076	1.5076	2.1512	2.1466	2.1466	2.1512	2.1466	2.1466
C2	1.3181		1.0732	1.0732	2.4676	2.4676	2.5945	3.1814	3.1814	2.5945	3.1814	3.1814
H3	2.0912	1.0732		1.8274	2.6954	3.4585	2.3666	3.4525	3.4525	3.6670	4.1012	4.1012
H4	2.0912	1.0732	1.8274		3.4585	2.6954	3.6670	4.1012	4.1012	2.3666	3.4525	3.4525
C5	1.5076	2.4676	2.6954	3.4585		2.5698	1.0792	1.0846	1.0846	3.4925	2.8403	2.8403
C6	1.5076	2.4676	3.4585	2.6954	2.5698		3.4925	2.8403	2.8403	1.0792	1.0846	1.0846
H7	2.1512	2.5945	2.3666	3.6670	1.0792	3.4925		1.7553	1.7553	4.2934	3.8202	3.8202
H8	2.1466	3.1814	3.4525	4.1012	1.0846	2.8403	1.7553		1.7422	3.8202	3.1977	2.6814
H9	2.1466	3.1814	3.4525	4.1012	1.0846	2.8403	1.7553	1.7422		3.8202	2.6814	3.1977
H10	2.1512	2.5945	3.6670	2.3666	3.4925	1.0792	4.2934	3.8202	3.8202		1.7553	1.7553
H11	2.1466	3.1814	4.1012	3.4525	2.8403	1.0846	3.8202	3.1977	2.6814	1.7553		1.7422
H12	2.1466	3.1814	4.1012	3.4525	2.8403	1.0846	3.8202	2.6814	3.1977	1.7553	1.7422

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.640	C1	C2	H4	121.640
C1	C5	H7	111.452	C1	C5	H8	110.752
C1	C5	H9	110.752	C1	C6	H10	111.452
C1	C6	H11	110.752	C1	C6	H12	110.752
C2	C1	C5	121.540	C2	C1	C6	121.540
H3	C2	H4	116.721	C5	C1	C6	116.920
H7	C5	H8	108.432	H7	C5	H9	108.432
H8	C5	H9	106.867	H10	C6	H11	108.432
H10	C6	H12	108.432	H11	C6	H12	106.867

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

using model chemistry: HF/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	-0.037
2	C	-0.158
3	H	0.053
4	H	0.053
5	C	-0.137
6	C	-0.137
7	H	0.064
8	H	0.058
9	H	0.058
10	H	0.064
11	H	0.058
12	H	0.058

<r²>	90.281
(<r²>)^1/2	9.502

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

using model chemistry: HF/Def2TZVPP

States and conformations

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