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	hartrees
Energy at 0K	-156.677708
Energy at 298.15K	-156.685583
HF Energy	-156.109344
Nuclear repulsion energy	119.268074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3170	3019	9.49
2	A₁	3148	2998	23.61
3	A₁	3054	2908	31.43
4	A₁	1760	1676	8.66
5	A₁	1552	1478	9.16
6	A₁	1490	1419	0.07
7	A₁	1460	1390	0.13
8	A₁	1111	1058	3.23
9	A₁	835	795	0.03
10	A₁	383	365	0.19
11	A₂	3108	2959	0.00
12	A₂	1523	1450	0.00
13	A₂	1046	996	0.00
14	A₂	712	678	0.00
15	A₂	170	162	0.00
16	B₁	3111	2962	51.31
17	B₁	1538	1465	15.19
18	B₁	1137	1082	0.04
19	B₁	907	863	44.33
20	B₁	431	411	4.84
21	B₁	202	193	0.43
22	B₂	3249	3094	20.83
23	B₂	3146	2996	22.20
24	B₂	3049	2903	19.28
25	B₂	1540	1466	4.15
26	B₂	1466	1396	8.85
27	B₂	1339	1276	2.26
28	B₂	1007	959	0.01
29	B₂	993	945	0.29
30	B₂	440	419	1.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.113
C2	0.000	0.000	1.458
H3	0.000	0.925	2.032
H4	0.000	-0.925	2.032
C5	0.000	1.291	-0.679
C6	0.000	-1.291	-0.679
H7	0.000	2.161	-0.014
H8	0.883	1.351	-1.330
H9	-0.883	1.351	-1.330
H10	0.000	-2.161	-0.014
H11	-0.883	-1.351	-1.330
H12	0.883	-1.351	-1.330

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3445	2.1305	2.1305	1.5147	1.5147	2.1647	2.1651	2.1651	2.1647	2.1651	2.1651
C2	1.3445		1.0890	1.0890	2.4962	2.4962	2.6146	3.2212	3.2212	2.6146	3.2212	3.2212
H3	2.1305	1.0890		1.8502	2.7356	3.5016	2.3907	3.5023	3.5023	3.7029	4.1553	4.1553
H4	2.1305	1.0890	1.8502		3.5016	2.7356	3.7029	4.1553	4.1553	2.3907	3.5023	3.5023
C5	1.5147	2.4962	2.7356	3.5016		2.5824	1.0945	1.0986	1.0986	3.5155	2.8611	2.8611
C6	1.5147	2.4962	3.5016	2.7356	2.5824		3.5155	2.8611	2.8611	1.0945	1.0986	1.0986
H7	2.1647	2.6146	2.3907	3.7029	1.0945	3.5155		1.7794	1.7794	4.3219	3.8531	3.8531
H8	2.1651	3.2212	3.5023	4.1553	1.0986	2.8611	1.7794		1.7653	3.8531	3.2280	2.7025
H9	2.1651	3.2212	3.5023	4.1553	1.0986	2.8611	1.7794	1.7653		3.8531	2.7025	3.2280
H10	2.1647	2.6146	3.7029	2.3907	3.5155	1.0945	4.3219	3.8531	3.8531		1.7794	1.7794
H11	2.1651	3.2212	4.1553	3.5023	2.8611	1.0986	3.8531	3.2280	2.7025	1.7794		1.7653
H12	2.1651	3.2212	4.1553	3.5023	2.8611	1.0986	3.8531	2.7025	3.2280	1.7794	1.7653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.846	C1	C2	H4	121.846
C1	C5	H7	111.102	C1	C5	H8	110.887
C1	C5	H9	110.887	C1	C6	H10	111.102
C1	C6	H11	110.887	C1	C6	H12	110.887
C2	C1	C5	121.518	C2	C1	C6	121.518
H3	C2	H4	116.309	C5	C1	C6	116.964
H7	C5	H8	108.453	H7	C5	H9	108.453
H8	C5	H9	106.915	H10	C6	H11	108.453
H10	C6	H12	108.453	H11	C6	H12	106.915

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

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

States and conformations

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