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	hartrees
Energy at 0K	-156.646397
Energy at 298.15K	-156.654308
HF Energy	-156.109785
Nuclear repulsion energy	119.669229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3209	3023	7.87
2	A₁	3198	3013	18.40
3	A₁	3092	2914	23.58
4	A₁	1754	1653	5.97
5	A₁	1565	1475	10.21
6	A₁	1499	1412	0.16
7	A₁	1467	1382	0.37
8	A₁	1116	1052	4.18
9	A₁	842	794	0.04
10	A₁	384	362	0.23
11	A₂	3162	2979	0.00
12	A₂	1535	1446	0.00
13	A₂	1056	995	0.00
14	A₂	720	678	0.00
15	A₂	177	167	0.00
16	B₁	3164	2981	39.06
17	B₁	1552	1462	16.95
18	B₁	1143	1077	0.15
19	B₁	906	854	46.44
20	B₁	432	407	5.29
21	B₁	209	197	0.58
22	B₂	3298	3107	16.03
23	B₂	3197	3012	16.95
24	B₂	3089	2910	17.57
25	B₂	1553	1463	4.71
26	B₂	1470	1385	9.96
27	B₂	1345	1267	2.27
28	B₂	1014	956	0.00
29	B₂	999	942	0.27
30	B₂	441	415	1.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.111
C2	0.000	0.000	1.453
H3	0.000	0.923	2.025
H4	0.000	-0.923	2.025
C5	0.000	1.286	-0.676
C6	0.000	-1.286	-0.676
H7	0.000	2.152	-0.011
H8	0.880	1.346	-1.325
H9	-0.880	1.346	-1.325
H10	0.000	-2.152	-0.011
H11	-0.880	-1.346	-1.325
H12	0.880	-1.346	-1.325

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3422	2.1247	2.1247	1.5076	1.5076	2.1551	2.1556	2.1556	2.1551	2.1556	2.1556
C2	1.3422		1.0858	1.0858	2.4872	2.4872	2.6027	3.2097	3.2097	2.6027	3.2097	3.2097
H3	2.1247	1.0858		1.8465	2.7247	3.4890	2.3779	3.4887	3.4887	3.6878	4.1402	4.1402
H4	2.1247	1.0858	1.8465		3.4890	2.7247	3.6878	4.1402	4.1402	2.3779	3.4887	3.4887
C5	1.5076	2.4872	2.7247	3.4890		2.5721	1.0912	1.0949	1.0949	3.5013	2.8500	2.8500
C6	1.5076	2.4872	3.4890	2.7247	2.5721		3.5013	2.8500	2.8500	1.0912	1.0949	1.0949
H7	2.1551	2.6027	2.3779	3.6878	1.0912	3.5013		1.7743	1.7743	4.3033	3.8382	3.8382
H8	2.1556	3.2097	3.4887	4.1402	1.0949	2.8500	1.7743		1.7596	3.8382	3.2160	2.6919
H9	2.1556	3.2097	3.4887	4.1402	1.0949	2.8500	1.7743	1.7596		3.8382	2.6919	3.2160
H10	2.1551	2.6027	3.6878	2.3779	3.5013	1.0912	4.3033	3.8382	3.8382		1.7743	1.7743
H11	2.1556	3.2097	4.1402	3.4887	2.8500	1.0949	3.8382	3.2160	2.6919	1.7743		1.7596
H12	2.1556	3.2097	4.1402	3.4887	2.8500	1.0949	3.8382	2.6919	3.2160	1.7743	1.7596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.758	C1	C2	H4	121.758
C1	C5	H7	111.034	C1	C5	H8	110.852
C1	C5	H9	110.852	C1	C6	H10	111.034
C1	C6	H11	110.852	C1	C6	H12	110.852
C2	C1	C5	121.456	C2	C1	C6	121.456
H3	C2	H4	116.484	C5	C1	C6	117.088
H7	C5	H8	108.511	H7	C5	H9	108.511
H8	C5	H9	106.946	H10	C6	H11	108.511
H10	C6	H12	108.511	H11	C6	H12	106.946

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

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