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	hartrees
Energy at 0K	-157.139769
Energy at 298.15K	-157.147523
HF Energy	-157.139769
Nuclear repulsion energy	119.021286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3092	3039	15.29
2	A₁	3074	3021	23.61
3	A₁	2970	2919	54.61
4	A₁	1679	1650	21.38
5	A₁	1478	1453	13.63
6	A₁	1416	1391	2.18
7	A₁	1388	1364	0.25
8	A₁	1063	1044	2.73
9	A₁	802	789	0.15
10	A₁	377	370	0.22
11	A₂	3019	2967	0.00
12	A₂	1446	1422	0.00
13	A₂	998	981	0.00
14	A₂	678	666	0.00
15	A₂	156	153	0.00
16	B₁	3021	2969	51.61
17	B₁	1466	1441	18.75
18	B₁	1079	1061	0.16
19	B₁	871	856	55.18
20	B₁	426	418	9.79
21	B₁	202	198	0.87
22	B₂	3176	3121	26.93
23	B₂	3073	3020	34.28
24	B₂	2964	2913	30.33
25	B₂	1458	1433	4.70
26	B₂	1382	1358	8.13
27	B₂	1268	1247	4.90
28	B₂	964	948	0.37
29	B₂	943	927	0.02
30	B₂	430	423	1.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.123
C2	0.000	0.000	1.469
H3	0.000	0.930	2.040
H4	0.000	-0.930	2.040
C5	0.000	1.279	-0.683
C6	0.000	-1.279	-0.683
H7	0.000	2.168	-0.040
H8	0.883	1.326	-1.340
H9	-0.883	1.326	-1.340
H10	0.000	-2.168	-0.040
H11	-0.883	-1.326	-1.340
H12	0.883	-1.326	-1.340

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3463	2.1306	2.1306	1.5110	1.5110	2.1738	2.1630	2.1630	2.1738	2.1630	2.1630
C2	1.3463		1.0909	1.0909	2.5028	2.5028	2.6412	3.2296	3.2296	2.6412	3.2296	3.2296
H3	2.1306	1.0909		1.8593	2.7446	3.5053	2.4203	3.5158	3.5158	3.7308	4.1585	4.1585
H4	2.1306	1.0909	1.8593		3.5053	2.7446	3.7308	4.1585	4.1585	2.4203	3.5158	3.5158
C5	1.5110	2.5028	2.7446	3.5053		2.5570	1.0971	1.1019	1.1019	3.5056	2.8279	2.8279
C6	1.5110	2.5028	3.5053	2.7446	2.5570		3.5056	2.8279	2.8279	1.0971	1.1019	1.1019
H7	2.1738	2.6412	2.4203	3.7308	1.0971	3.5056		1.7827	1.7827	4.3354	3.8312	3.8312
H8	2.1630	3.2296	3.5158	4.1585	1.1019	2.8279	1.7827		1.7656	3.8312	3.1865	2.6526
H9	2.1630	3.2296	3.5158	4.1585	1.1019	2.8279	1.7827	1.7656		3.8312	2.6526	3.1865
H10	2.1738	2.6412	3.7308	2.4203	3.5056	1.0971	4.3354	3.8312	3.8312		1.7827	1.7827
H11	2.1630	3.2296	4.1585	3.5158	2.8279	1.1019	3.8312	3.1865	2.6526	1.7827		1.7656
H12	2.1630	3.2296	4.1585	3.5158	2.8279	1.1019	3.8312	2.6526	3.1865	1.7827	1.7656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.733	C1	C2	H4	121.733
C1	C5	H7	111.234	C1	C5	H8	110.755
C1	C5	H9	110.755	C1	C6	H10	111.234
C1	C6	H11	110.755	C1	C6	H12	110.755
C2	C1	C5	121.537	C2	C1	C6	121.537
H3	C2	H4	116.535	C5	C1	C6	116.927
H7	C5	H8	108.586	H7	C5	H9	108.586
H8	C5	H9	106.783	H10	C6	H11	108.586
H10	C6	H12	108.586	H11	C6	H12	106.783

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

using model chemistry: B97D3/6-31+G**

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	0.456
2	C	-0.410
3	H	0.132
4	H	0.132
5	C	-0.629
6	C	-0.629
7	H	0.156
8	H	0.159
9	H	0.159
10	H	0.156
11	H	0.159
12	H	0.159

<r²>	91.914
(<r²>)^1/2	9.587

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

using model chemistry: B97D3/6-31+G**

States and conformations

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