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	hartrees
Energy at 0K	-27.367691
Energy at 298.15K	-27.375550
Nuclear repulsion energy	66.926515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3098	3019	16.72
2	A₁	3085	3006	33.36
3	A₁	2974	2898	57.64
4	A₁	1690	1647	20.73
5	A₁	1521	1482	15.78
6	A₁	1457	1420	1.03
7	A₁	1435	1398	0.99
8	A₁	1085	1057	3.12
9	A₁	800	779	0.00
10	A₁	372	363	0.30
11	A₂	3031	2953	0.00
12	A₂	1496	1458	0.00
13	A₂	1030	1003	0.00
14	A₂	703	685	0.00
15	A₂	158	154	0.00
16	B₁	3036	2958	86.14
17	B₁	1512	1473	23.18
18	B₁	1116	1087	0.46
19	B₁	948	923	65.96
20	B₁	432	421	9.46
21	B₁	199	194	0.71
22	B₂	3194	3113	39.28
23	B₂	3082	3003	38.60
24	B₂	2968	2892	33.95
25	B₂	1507	1468	5.74
26	B₂	1429	1392	14.46
27	B₂	1302	1269	5.73
28	B₂	989	963	0.14
29	B₂	968	943	0.11
30	B₂	431	420	1.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.141
C2	0.000	0.000	1.499
H3	0.000	0.927	2.070
H4	0.000	-0.927	2.070
C5	0.000	1.294	-0.670
C6	0.000	-1.294	-0.670
H7	0.000	2.178	-0.023
H8	0.884	1.346	-1.324
H9	-0.884	1.346	-1.324
H10	0.000	-2.178	-0.023
H11	-0.884	-1.346	-1.324
H12	0.884	-1.346	-1.324

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3571	2.1400	2.1400	1.5269	1.5269	2.1846	2.1777	2.1777	2.1846	2.1777	2.1777
C2	1.3571		1.0894	1.0894	2.5248	2.5248	2.6569	3.2500	3.2500	2.6569	3.2500	3.2500
H3	2.1400	1.0894		1.8547	2.7642	3.5270	2.4382	3.5327	3.5327	3.7450	4.1802	4.1802
H4	2.1400	1.0894	1.8547		3.5270	2.7642	3.7450	4.1802	4.1802	2.4382	3.5327	3.5327
C5	1.5269	2.5248	2.7642	3.5270		2.5873	1.0962	1.1011	1.1011	3.5319	2.8598	2.8598
C6	1.5269	2.5248	3.5270	2.7642	2.5873		3.5319	2.8598	2.8598	1.0962	1.1011	1.1011
H7	2.1846	2.6569	2.4382	3.7450	1.0962	3.5319		1.7801	1.7801	4.3569	3.8599	3.8599
H8	2.1777	3.2500	3.5327	4.1802	1.1011	2.8598	1.7801		1.7674	3.8599	3.2207	2.6924
H9	2.1777	3.2500	3.5327	4.1802	1.1011	2.8598	1.7801	1.7674		3.8599	2.6924	3.2207
H10	2.1846	2.6569	3.7450	2.4382	3.5319	1.0962	4.3569	3.8599	3.8599		1.7801	1.7801
H11	2.1777	3.2500	4.1802	3.5327	2.8598	1.1011	3.8599	3.2207	2.6924	1.7801		1.7674
H12	2.1777	3.2500	4.1802	3.5327	2.8598	1.1011	3.8599	2.6924	3.2207	1.7801	1.7674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.650	C1	C2	H4	121.650
C1	C5	H7	111.728	C1	C5	H8	110.877
C1	C5	H9	110.877	C1	C6	H10	111.728
C1	C6	H11	110.877	C1	C6	H12	110.877
C2	C1	C5	122.090	C2	C1	C6	122.090
H3	C2	H4	116.700	C5	C1	C6	115.821
H7	C5	H8	108.213	H7	C5	H9	108.213
H8	C5	H9	106.747	H10	C6	H11	108.213
H10	C6	H12	108.213	H11	C6	H12	106.747

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

using model chemistry: B3LYP/CEP-121G

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	0.602
2	C	-0.546
3	H	0.129
4	H	0.129
5	C	-0.621
6	C	-0.621
7	H	0.161
8	H	0.151
9	H	0.151
10	H	0.161
11	H	0.151
12	H	0.151

<r²>	80.041
(<r²>)^1/2	8.947

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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