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	hartrees
Energy at 0K	-156.594285
Energy at 298.15K	-156.602284
HF Energy	-156.110426
Nuclear repulsion energy	119.939001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3261	3012	8.30
2	A₁	3238	2991	21.79
3	A₁	3140	2901	32.44
4	A₁	1833	1693	11.28
5	A₁	1592	1471	10.09
6	A₁	1533	1416	0.10
7	A₁	1501	1386	0.09
8	A₁	1144	1056	3.33
9	A₁	857	792	0.03
10	A₁	392	362	0.25
11	A₂	3195	2951	0.00
12	A₂	1561	1442	0.00
13	A₂	1077	995	0.00
14	A₂	739	683	0.00
15	A₂	174	161	0.00
16	B₁	3198	2954	50.19
17	B₁	1578	1458	16.27
18	B₁	1172	1083	0.13
19	B₁	968	895	48.57
20	B₁	452	417	5.62
21	B₁	211	195	0.44
22	B₂	3340	3085	19.34
23	B₂	3236	2989	21.92
24	B₂	3134	2895	18.41
25	B₂	1578	1458	4.42
26	B₂	1509	1394	9.27
27	B₂	1374	1269	2.36
28	B₂	1034	955	0.01
29	B₂	1019	941	0.32
30	B₂	453	419	1.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.124
C2	0.000	0.000	1.453
H3	0.000	0.920	2.022
H4	0.000	-0.920	2.022
C5	0.000	1.273	-0.677
C6	0.000	-1.273	-0.677
H7	0.000	2.152	-0.035
H8	0.877	1.322	-1.326
H9	-0.877	1.322	-1.326
H10	0.000	-2.152	-0.035
H11	-0.877	-1.322	-1.326
H12	0.877	-1.322	-1.326

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3287	2.1095	2.1095	1.5040	1.5040	2.1576	2.1495	2.1495	2.1576	2.1495	2.1495
C2	1.3287		1.0818	1.0818	2.4813	2.4813	2.6159	3.1999	3.1999	2.6159	3.1999	3.1999
H3	2.1095	1.0818		1.8391	2.7228	3.4778	2.3982	3.4849	3.4849	3.6968	4.1240	4.1240
H4	2.1095	1.0818	1.8391		3.4778	2.7228	3.6968	4.1240	4.1240	2.3982	3.4849	3.4849
C5	1.5040	2.4813	2.7228	3.4778		2.5455	1.0887	1.0924	1.0924	3.4842	2.8150	2.8150
C6	1.5040	2.4813	3.4778	2.7228	2.5455		3.4842	2.8150	2.8150	1.0887	1.0924	1.0924
H7	2.1576	2.6159	2.3982	3.6968	1.0887	3.4842		1.7678	1.7678	4.3035	3.8085	3.8085
H8	2.1495	3.1999	3.4849	4.1240	1.0924	2.8150	1.7678		1.7549	3.8085	3.1735	2.6442
H9	2.1495	3.1999	3.4849	4.1240	1.0924	2.8150	1.7678	1.7549		3.8085	2.6442	3.1735
H10	2.1576	2.6159	3.6968	2.3982	3.4842	1.0887	4.3035	3.8085	3.8085		1.7678	1.7678
H11	2.1495	3.1999	4.1240	3.4849	2.8150	1.0924	3.8085	3.1735	2.6442	1.7678		1.7549
H12	2.1495	3.1999	4.1240	3.4849	2.8150	1.0924	3.8085	2.6442	3.1735	1.7678	1.7549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.786	C1	C2	H4	121.786
C1	C5	H7	111.648	C1	C5	H8	110.771
C1	C5	H9	110.771	C1	C6	H10	111.648
C1	C6	H11	110.771	C1	C6	H12	110.771
C2	C1	C5	122.193	C2	C1	C6	122.193
H3	C2	H4	116.429	C5	C1	C6	115.613
H7	C5	H8	108.298	H7	C5	H9	108.298
H8	C5	H9	106.886	H10	C6	H11	108.298
H10	C6	H12	108.298	H11	C6	H12	106.886

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

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

States and conformations

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