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	hartrees
Energy at 0K	-156.806768
Energy at 298.15K	-156.814713
HF Energy	-156.131697
Nuclear repulsion energy	120.144881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3218	3025	4.45
2	A₁	3212	3019	12.73
3	A₁	3102	2915	18.05
4	A₁	1739	1635	7.61
5	A₁	1539	1446	11.12
6	A₁	1474	1385	0.09
7	A₁	1434	1348	0.52
8	A₁	1101	1035	4.91
9	A₁	842	792	0.13
10	A₁	376	354	0.25
11	A₂	3176	2985	0.00
12	A₂	1515	1424	0.00
13	A₂	1045	982	0.00
14	A₂	723	680	0.00
15	A₂	185	174	0.00
16	B₁	3178	2987	24.53
17	B₁	1533	1441	15.17
18	B₁	1117	1050	0.29
19	B₁	931	875	37.39
20	B₁	435	409	5.10
21	B₁	221	208	0.57
22	B₂	3314	3114	9.27
23	B₂	3210	3017	12.51
24	B₂	3099	2912	14.34
25	B₂	1526	1434	3.88
26	B₂	1438	1352	9.91
27	B₂	1327	1247	2.46
28	B₂	1010	950	0.01
29	B₂	983	924	0.20
30	B₂	431	405	1.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.111
C2	0.000	0.000	1.446
H3	0.000	0.921	2.013
H4	0.000	-0.921	2.013
C5	0.000	1.281	-0.673
C6	0.000	-1.281	-0.673
H7	0.000	2.143	-0.010
H8	0.877	1.338	-1.319
H9	-0.877	1.338	-1.319
H10	0.000	-2.143	-0.010
H11	-0.877	-1.338	-1.319
H12	0.877	-1.338	-1.319

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3356	2.1134	2.1134	1.5017	1.5017	2.1459	2.1453	2.1453	2.1459	2.1453	2.1453
C2	1.3356		1.0812	1.0812	2.4764	2.4764	2.5908	3.1946	3.1946	2.5908	3.1946	3.1946
H3	2.1134	1.0812		1.8416	2.7099	3.4730	2.3635	3.4704	3.4704	3.6712	4.1197	4.1197
H4	2.1134	1.0812	1.8416		3.4730	2.7099	3.6712	4.1197	4.1197	2.3635	3.4704	3.4704
C5	1.5017	2.4764	2.7099	3.4730		2.5621	1.0868	1.0904	1.0904	3.4871	2.8364	2.8364
C6	1.5017	2.4764	3.4730	2.7099	2.5621		3.4871	2.8364	2.8364	1.0868	1.0904	1.0904
H7	2.1459	2.5908	2.3635	3.6712	1.0868	3.4871		1.7687	1.7687	4.2850	3.8203	3.8203
H8	2.1453	3.1946	3.4704	4.1197	1.0904	2.8364	1.7687		1.7532	3.8203	3.1991	2.6759
H9	2.1453	3.1946	3.4704	4.1197	1.0904	2.8364	1.7687	1.7532		3.8203	2.6759	3.1991
H10	2.1459	2.5908	3.6712	2.3635	3.4871	1.0868	4.2850	3.8203	3.8203		1.7687	1.7687
H11	2.1453	3.1946	4.1197	3.4704	2.8364	1.0904	3.8203	3.1991	2.6759	1.7687		1.7532
H12	2.1453	3.1946	4.1197	3.4704	2.8364	1.0904	3.8203	2.6759	3.1991	1.7687	1.7532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.605	C1	C2	H4	121.605
C1	C5	H7	110.980	C1	C5	H8	110.713
C1	C5	H9	110.713	C1	C6	H10	110.980
C1	C6	H11	110.713	C1	C6	H12	110.713
C2	C1	C5	121.454	C2	C1	C6	121.454
H3	C2	H4	116.789	C5	C1	C6	117.092
H7	C5	H8	108.654	H7	C5	H9	108.654
H8	C5	H9	107.008	H10	C6	H11	108.654
H10	C6	H12	108.654	H11	C6	H12	107.008

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G(2df,p)

States and conformations

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