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	hartrees
Energy at 0K	-157.132916
Energy at 298.15K	-157.140690
Nuclear repulsion energy	118.613644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3070	3047	11.25
2	A₁	3046	3023	22.24
3	A₁	2950	2928	45.06
4	A₁	1676	1664	12.56
5	A₁	1480	1469	7.41
6	A₁	1418	1408	0.65
7	A₁	1390	1379	0.02
8	A₁	1061	1053	4.12
9	A₁	790	784	0.10
10	A₁	369	366	0.27
11	A₂	2987	2964	0.00
12	A₂	1449	1438	0.00
13	A₂	1000	993	0.00
14	A₂	686	681	0.00
15	A₂	173	172	0.00
16	B₁	2990	2967	58.81
17	B₁	1466	1455	11.79
18	B₁	1080	1071	0.66
19	B₁	881	874	35.91
20	B₁	425	421	4.57
21	B₁	209	207	0.59
22	B₂	3150	3125	24.80
23	B₂	3044	3021	27.37
24	B₂	2944	2921	21.19
25	B₂	1462	1451	3.07
26	B₂	1383	1372	2.82
27	B₂	1261	1251	5.64
28	B₂	963	955	0.37
29	B₂	938	931	0.00
30	B₂	427	424	1.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.123
C2	0.000	0.000	1.470
H3	0.000	0.930	2.045
H4	0.000	-0.930	2.045
C5	0.000	1.286	-0.683
C6	0.000	-1.286	-0.683
H7	0.000	2.176	-0.037
H8	0.884	1.342	-1.344
H9	-0.884	1.342	-1.344
H10	0.000	-2.176	-0.037
H11	-0.884	-1.342	-1.344
H12	0.884	-1.342	-1.344

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3470	2.1353	2.1353	1.5179	1.5179	2.1822	2.1759	2.1759	2.1822	2.1759	2.1759
C2	1.3470		1.0934	1.0934	2.5079	2.5079	2.6468	3.2406	3.2406	2.6468	3.2406	3.2406
H3	2.1353	1.0934		1.8599	2.7512	3.5148	2.4261	3.5267	3.5267	3.7392	4.1749	4.1749
H4	2.1353	1.0934	1.8599		3.5148	2.7512	3.7392	4.1749	4.1749	2.4261	3.5267	3.5267
C5	1.5179	2.5079	2.7512	3.5148		2.5725	1.1001	1.1053	1.1053	3.5225	2.8507	2.8507
C6	1.5179	2.5079	3.5148	2.7512	2.5725		3.5225	2.8507	2.8507	1.1001	1.1053	1.1053
H7	2.1822	2.6468	2.4261	3.7392	1.1001	3.5225		1.7854	1.7854	4.3527	3.8562	3.8562
H8	2.1759	3.2406	3.5267	4.1749	1.1053	2.8507	1.7854		1.7679	3.8562	3.2139	2.6840
H9	2.1759	3.2406	3.5267	4.1749	1.1053	2.8507	1.7854	1.7679		3.8562	2.6840	3.2139
H10	2.1822	2.6468	3.7392	2.4261	3.5225	1.1001	4.3527	3.8562	3.8562		1.7854	1.7854
H11	2.1759	3.2406	4.1749	3.5267	2.8507	1.1053	3.8562	3.2139	2.6840	1.7854		1.7679
H12	2.1759	3.2406	4.1749	3.5267	2.8507	1.1053	3.8562	2.6840	3.2139	1.7854	1.7679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.734	C1	C2	H4	121.734
C1	C5	H7	111.938	C1	C5	H8	111.122
C1	C5	H9	111.122	C1	C6	H10	111.938
C1	C6	H11	111.122	C1	C6	H12	111.122
C2	C1	C5	122.069	C2	C1	C6	122.069
H3	C2	H4	116.531	C5	C1	C6	115.862
H7	C5	H8	108.104	H7	C5	H9	108.104
H8	C5	H9	106.214	H10	C6	H11	108.104
H10	C6	H12	108.104	H11	C6	H12	106.214

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.196
2	C	-0.252
3	H	0.068
4	H	0.068
5	C	-0.334
6	C	-0.334
7	H	0.096
8	H	0.099
9	H	0.099
10	H	0.096
11	H	0.099
12	H	0.099

<r²>	92.139
(<r²>)^1/2	9.599

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

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

States and conformations

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