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	hartrees
Energy at 0K	-156.823722
Energy at 298.15K	-156.831630
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3191	3017	5.74
2	A₁	3174	3001	17.68
3	A₁	3076	2908	24.62
4	A₁	1755	1659	10.14
5	A₁	1534	1450	9.44
6	A₁	1476	1396	0.07
7	A₁	1441	1362	0.06
8	A₁	1102	1042	3.78
9	A₁	830	785	0.11
10	A₁	375	354	0.23
11	A₂	3132	2961	0.00
12	A₂	1505	1423	0.00
13	A₂	1037	981	0.00
14	A₂	719	679	0.00
15	A₂	172	163	0.00
16	B₁	3135	2964	36.01
17	B₁	1522	1439	13.10
18	B₁	1121	1060	0.05
19	B₁	941	890	36.72
20	B₁	436	412	4.67
21	B₁	211	200	0.38
22	B₂	3275	3096	13.18
23	B₂	3171	2999	16.94
24	B₂	3072	2904	15.45
25	B₂	1519	1436	3.36
26	B₂	1445	1367	7.33
27	B₂	1326	1253	2.76
28	B₂	1004	950	0.07
29	B₂	980	927	0.16
30	B₂	434	410	1.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.114
C2	0.000	0.000	1.451
H3	0.000	0.922	2.021
H4	0.000	-0.922	2.021
C5	0.000	1.290	-0.675
C6	0.000	-1.290	-0.675
H7	0.000	2.155	-0.012
H8	0.879	1.349	-1.325
H9	-0.879	1.349	-1.325
H10	0.000	-2.155	-0.012
H11	-0.879	-1.349	-1.325
H12	0.879	-1.349	-1.325

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3373	2.1183	2.1183	1.5122	1.5122	2.1587	2.1590	2.1590	2.1587	2.1590	2.1590
C2	1.3373		1.0840	1.0840	2.4871	2.4871	2.6048	3.2088	3.2088	2.6048	3.2088	3.2088
H3	2.1183	1.0840		1.8444	2.7211	3.4875	2.3775	3.4850	3.4850	3.6881	4.1379	4.1379
H4	2.1183	1.0840	1.8444		3.4875	2.7211	3.6881	4.1379	4.1379	2.3775	3.4850	3.4850
C5	1.5122	2.4871	2.7211	3.4875		2.5801	1.0900	1.0941	1.0941	3.5083	2.8564	2.8564
C6	1.5122	2.4871	3.4875	2.7211	2.5801		3.5083	2.8564	2.8564	1.0900	1.0941	1.0941
H7	2.1587	2.6048	2.3775	3.6881	1.0900	3.5083		1.7731	1.7731	4.3100	3.8437	3.8437
H8	2.1590	3.2088	3.4850	4.1379	1.0941	2.8564	1.7731		1.7574	3.8437	3.2203	2.6985
H9	2.1590	3.2088	3.4850	4.1379	1.0941	2.8564	1.7731	1.7574		3.8437	2.6985	3.2203
H10	2.1587	2.6048	3.6881	2.3775	3.5083	1.0900	4.3100	3.8437	3.8437		1.7731	1.7731
H11	2.1590	3.2088	4.1379	3.4850	2.8564	1.0941	3.8437	3.2203	2.6985	1.7731		1.7574
H12	2.1590	3.2088	4.1379	3.4850	2.8564	1.0941	3.8437	2.6985	3.2203	1.7731	1.7574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.706	C1	C2	H4	121.706
C1	C5	H7	111.069	C1	C5	H8	110.841
C1	C5	H9	110.841	C1	C6	H10	111.069
C1	C6	H11	110.841	C1	C6	H12	110.841
C2	C1	C5	121.453	C2	C1	C6	121.453
H3	C2	H4	116.588	C5	C1	C6	117.094
H7	C5	H8	108.547	H7	C5	H9	108.547
H8	C5	H9	106.857	H10	C6	H11	108.547
H10	C6	H12	108.547	H11	C6	H12	106.857

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

using model chemistry: CCSD/6-31G(2df,p)

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

using model chemistry: CCSD/6-31G(2df,p)

States and conformations

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