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	hartrees
Energy at 0K	-156.676543
Energy at 298.15K	-156.684422
HF Energy	-156.109417
Nuclear repulsion energy	119.301981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3174	2997	9.74
2	A₁	3152	2977	22.64
3	A₁	3058	2887	30.70
4	A₁	1764	1666	8.04
5	A₁	1553	1467	9.27
6	A₁	1492	1409	0.06
7	A₁	1461	1380	0.18
8	A₁	1112	1050	3.39
9	A₁	836	790	0.04
10	A₁	383	362	0.20
11	A₂	3112	2938	0.00
12	A₂	1523	1439	0.00
13	A₂	1047	989	0.00
14	A₂	712	673	0.00
15	A₂	170	161	0.00
16	B₁	3115	2941	49.96
17	B₁	1539	1454	15.41
18	B₁	1138	1074	0.05
19	B₁	909	858	44.27
20	B₁	432	407	4.90
21	B₁	203	191	0.43
22	B₂	3252	3071	20.29
23	B₂	3150	2975	21.64
24	B₂	3053	2883	18.72
25	B₂	1541	1455	4.23
26	B₂	1467	1386	9.00
27	B₂	1341	1266	2.19
28	B₂	1008	952	0.00
29	B₂	994	938	0.30
30	B₂	441	416	1.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.113
C2	0.000	0.000	1.457
H3	0.000	0.925	2.031
H4	0.000	-0.925	2.031
C5	0.000	1.291	-0.678
C6	0.000	-1.291	-0.678
H7	0.000	2.160	-0.014
H8	0.882	1.351	-1.329
H9	-0.882	1.351	-1.329
H10	0.000	-2.160	-0.014
H11	-0.882	-1.351	-1.329
H12	0.882	-1.351	-1.329

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3437	2.1295	2.1295	1.5143	1.5143	2.1641	2.1646	2.1646	2.1641	2.1646	2.1646
C2	1.3437		1.0888	1.0888	2.4952	2.4952	2.6135	3.2200	3.2200	2.6135	3.2200	3.2200
H3	2.1295	1.0888		1.8498	2.7344	3.5004	2.3895	3.5009	3.5009	3.7016	4.1538	4.1538
H4	2.1295	1.0888	1.8498		3.5004	2.7344	3.7016	4.1538	4.1538	2.3895	3.5009	3.5009
C5	1.5143	2.4952	2.7344	3.5004		2.5819	1.0942	1.0983	1.0983	3.5147	2.8605	2.8605
C6	1.5143	2.4952	3.5004	2.7344	2.5819		3.5147	2.8605	2.8605	1.0942	1.0983	1.0983
H7	2.1641	2.6135	2.3895	3.7016	1.0942	3.5147		1.7790	1.7790	4.3207	3.8521	3.8521
H8	2.1646	3.2200	3.5009	4.1538	1.0983	2.8605	1.7790		1.7649	3.8521	3.2272	2.7018
H9	2.1646	3.2200	3.5009	4.1538	1.0983	2.8605	1.7790	1.7649		3.8521	2.7018	3.2272
H10	2.1641	2.6135	3.7016	2.3895	3.5147	1.0942	4.3207	3.8521	3.8521		1.7790	1.7790
H11	2.1646	3.2200	4.1538	3.5009	2.8605	1.0983	3.8521	3.2272	2.7018	1.7790		1.7649
H12	2.1646	3.2200	4.1538	3.5009	2.8605	1.0983	3.8521	2.7018	3.2272	1.7790	1.7649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.842	C1	C2	H4	121.842
C1	C5	H7	111.094	C1	C5	H8	110.881
C1	C5	H9	110.881	C1	C6	H10	111.094
C1	C6	H11	110.881	C1	C6	H12	110.881
C2	C1	C5	121.516	C2	C1	C6	121.516
H3	C2	H4	116.315	C5	C1	C6	116.968
H7	C5	H8	108.461	H7	C5	H9	108.461
H8	C5	H9	106.922	H10	C6	H11	108.461
H10	C6	H12	108.461	H11	C6	H12	106.922

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

using model chemistry: CCSD/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: CCSD/6-31G*

States and conformations

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