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	hartrees
Energy at 0K	-156.672048
Energy at 298.15K	-156.679937
HF Energy	-156.109554
Nuclear repulsion energy	119.366490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3182	3011	8.69
2	A₁	3162	2993	22.13
3	A₁	3065	2901	27.62
4	A₁	1776	1681	6.08
5	A₁	1555	1472	9.21
6	A₁	1494	1414	0.09
7	A₁	1463	1385	0.44
8	A₁	1114	1054	3.72
9	A₁	839	794	0.05
10	A₁	384	363	0.20
11	A₂	3123	2956	0.00
12	A₂	1525	1444	0.00
13	A₂	1049	993	0.00
14	A₂	714	676	0.00
15	A₂	170	161	0.00
16	B₁	3126	2959	46.99
17	B₁	1541	1459	15.89
18	B₁	1141	1080	0.09
19	B₁	915	866	44.20
20	B₁	432	409	5.17
21	B₁	203	192	0.44
22	B₂	3261	3087	19.19
23	B₂	3161	2991	20.26
24	B₂	3061	2897	18.32
25	B₂	1543	1460	4.41
26	B₂	1470	1391	9.73
27	B₂	1343	1271	2.15
28	B₂	1009	955	0.00
29	B₂	996	942	0.33
30	B₂	442	418	1.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.114
C2	0.000	0.000	1.455
H3	0.000	0.925	2.029
H4	0.000	-0.925	2.029
C5	0.000	1.291	-0.678
C6	0.000	-1.291	-0.678
H7	0.000	2.160	-0.013
H8	0.882	1.351	-1.328
H9	-0.882	1.351	-1.328
H10	0.000	-2.160	-0.013
H11	-0.882	-1.351	-1.328
H12	0.882	-1.351	-1.328

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3414	2.1271	2.1271	1.5139	1.5139	2.1633	2.1641	2.1641	2.1633	2.1641	2.1641
C2	1.3414		1.0884	1.0884	2.4928	2.4928	2.6114	3.2174	3.2174	2.6114	3.2174	3.2174
H3	2.1271	1.0884		1.8491	2.7315	3.4978	2.3868	3.4978	3.4978	3.6991	4.1510	4.1510
H4	2.1271	1.0884	1.8491		3.4978	2.7315	3.6991	4.1510	4.1510	2.3868	3.4978	3.4978
C5	1.5139	2.4928	2.7315	3.4978		2.5813	1.0939	1.0980	1.0980	3.5136	2.8601	2.8601
C6	1.5139	2.4928	3.4978	2.7315	2.5813		3.5136	2.8601	2.8601	1.0939	1.0980	1.0980
H7	2.1633	2.6114	2.3868	3.6991	1.0939	3.5136		1.7783	1.7783	4.3192	3.8513	3.8513
H8	2.1641	3.2174	3.4978	4.1510	1.0980	2.8601	1.7783		1.7645	3.8513	3.2270	2.7019
H9	2.1641	3.2174	3.4978	4.1510	1.0980	2.8601	1.7783	1.7645		3.8513	2.7019	3.2270
H10	2.1633	2.6114	3.6991	2.3868	3.5136	1.0939	4.3192	3.8513	3.8513		1.7783	1.7783
H11	2.1641	3.2174	4.1510	3.4978	2.8601	1.0980	3.8513	3.2270	2.7019	1.7783		1.7645
H12	2.1641	3.2174	4.1510	3.4978	2.8601	1.0980	3.8513	2.7019	3.2270	1.7783	1.7645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.844	C1	C2	H4	121.844
C1	C5	H7	111.085	C1	C5	H8	110.895
C1	C5	H9	110.895	C1	C6	H10	111.085
C1	C6	H11	110.895	C1	C6	H12	110.895
C2	C1	C5	121.512	C2	C1	C6	121.512
H3	C2	H4	116.313	C5	C1	C6	116.977
H7	C5	H8	108.448	H7	C5	H9	108.448
H8	C5	H9	106.927	H10	C6	H11	108.448
H10	C6	H12	108.448	H11	C6	H12	106.927

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

using model chemistry: CCD/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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All results from a given calculation for CH2C(CH3)CH3 (1-Propene, 2-methyl-)

using model chemistry: CCD/6-31G*

States and conformations

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