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	hartrees
Energy at 0K	-156.373242
Energy at 298.15K	-156.381167
Nuclear repulsion energy	119.202545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3151	3041	7.58
2	A₁	3124	3014	15.64
3	A₁	3036	2929	31.07
4	A₁	1735	1674	10.23
5	A₁	1565	1510	13.14
6	A₁	1496	1443	0.52
7	A₁	1467	1416	2.13
8	A₁	1119	1080	5.29
9	A₁	798	770	0.02
10	A₁	378	365	0.35
11	A₂	3073	2966	0.00
12	A₂	1541	1487	0.00
13	A₂	1061	1024	0.00
14	A₂	718	693	0.00
15	A₂	178	171	0.00
16	B₁	3078	2970	44.88
17	B₁	1559	1505	20.23
18	B₁	1145	1105	4.16
19	B₁	943	910	53.56
20	B₁	430	415	8.86
21	B₁	209	202	0.82
22	B₂	3228	3115	18.81
23	B₂	3122	3013	22.12
24	B₂	3030	2924	14.42
25	B₂	1551	1497	5.15
26	B₂	1454	1403	11.61
27	B₂	1306	1261	7.63
28	B₂	1018	983	0.49
29	B₂	970	936	0.09
30	B₂	444	429	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.129
C2	0.000	0.000	1.464
H3	0.000	0.924	2.034
H4	0.000	-0.924	2.034
C5	0.000	1.280	-0.684
C6	0.000	-1.280	-0.684
H7	0.000	2.163	-0.039
H8	0.884	1.322	-1.334
H9	-0.884	1.322	-1.334
H10	0.000	-2.163	-0.039
H11	-0.884	-1.322	-1.334
H12	0.884	-1.322	-1.334

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3346	2.1173	2.1173	1.5169	1.5169	2.1700	2.1614	2.1614	2.1700	2.1614	2.1614
C2	1.3346		1.0857	1.0857	2.5008	2.5008	2.6342	3.2186	3.2186	2.6342	3.2186	3.2186
H3	2.1173	1.0857		1.8475	2.7421	3.4999	2.4157	3.5056	3.5056	3.7188	4.1441	4.1441
H4	2.1173	1.0857	1.8475		3.4999	2.7421	3.7188	4.1441	4.1441	2.4157	3.5056	3.5056
C5	1.5169	2.5008	2.7421	3.4999		2.5604	1.0940	1.0984	1.0984	3.5036	2.8240	2.8240
C6	1.5169	2.5008	3.4999	2.7421	2.5604		3.5036	2.8240	2.8240	1.0940	1.0984	1.0984
H7	2.1700	2.6342	2.4157	3.7188	1.0940	3.5036		1.7801	1.7801	4.3269	3.8219	3.8219
H8	2.1614	3.2186	3.5056	4.1441	1.0984	2.8240	1.7801		1.7688	3.8219	3.1808	2.6436
H9	2.1614	3.2186	3.5056	4.1441	1.0984	2.8240	1.7801	1.7688		3.8219	2.6436	3.1808
H10	2.1700	2.6342	3.7188	2.4157	3.5036	1.0940	4.3269	3.8219	3.8219		1.7801	1.7801
H11	2.1614	3.2186	4.1441	3.5056	2.8240	1.0984	3.8219	3.1808	2.6436	1.7801		1.7688
H12	2.1614	3.2186	4.1441	3.5056	2.8240	1.0984	3.8219	2.6436	3.1808	1.7801	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.700	C1	C2	H4	121.700
C1	C5	H7	111.403	C1	C5	H8	110.452
C1	C5	H9	110.452	C1	C6	H10	111.403
C1	C6	H11	110.452	C1	C6	H12	110.452
C2	C1	C5	122.440	C2	C1	C6	122.440
H3	C2	H4	116.599	C5	C1	C6	115.120
H7	C5	H8	108.574	H7	C5	H9	108.574
H8	C5	H9	107.263	H10	C6	H11	108.574
H10	C6	H12	108.574	H11	C6	H12	107.263

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

using model chemistry: B3LYP/3-21G

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	ESP
1	C	0.028	0.361
2	C	-0.379	-0.621
3	H	0.173	0.208
4	H	0.173	0.208
5	C	-0.588	-0.514
6	C	-0.588	-0.514
7	H	0.196	0.144
8	H	0.198	0.146
9	H	0.198	0.146
10	H	0.196	0.144
11	H	0.198	0.146
12	H	0.198	0.146

	x	y	z	Total
	0.000	0.000	-0.502	0.502
CHELPG
AIM
ESP	0.005	0.000	-0.490	0.490

<r²>	91.305
(<r²>)^1/2	9.555

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

using model chemistry: B3LYP/3-21G

States and conformations

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