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	hartrees
Energy at 0K	-157.160312
Energy at 298.15K	-157.168066
Nuclear repulsion energy	118.759344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3047	3039	17.87
2	A₁	3024	3017	25.02
3	A₁	2939	2932	52.73
4	A₁	1663	1659	14.82
5	A₁	1484	1480	13.40
6	A₁	1415	1412	0.85
7	A₁	1393	1390	0.39
8	A₁	1061	1058	3.14
9	A₁	787	785	0.14
10	A₁	372	371	0.24
11	A₂	2967	2960	0.00
12	A₂	1453	1449	0.00
13	A₂	1004	1001	0.00
14	A₂	681	679	0.00
15	A₂	161	160	0.00
16	B₁	2971	2963	69.35
17	B₁	1472	1468	18.63
18	B₁	1082	1079	0.09
19	B₁	867	865	46.42
20	B₁	425	424	7.68
21	B₁	202	202	0.45
22	B₂	3121	3113	31.47
23	B₂	3022	3015	35.45
24	B₂	2932	2925	24.12
25	B₂	1468	1464	4.73
26	B₂	1384	1381	7.49
27	B₂	1257	1254	4.82
28	B₂	963	961	0.30
29	B₂	937	935	0.08
30	B₂	431	430	1.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.125
C2	0.000	0.000	1.468
H3	0.000	0.928	2.044
H4	0.000	-0.928	2.044
C5	0.000	1.285	-0.683
C6	0.000	-1.285	-0.683
H7	0.000	2.175	-0.040
H8	0.883	1.341	-1.342
H9	-0.883	1.341	-1.342
H10	0.000	-2.175	-0.040
H11	-0.883	-1.341	-1.342
H12	0.883	-1.341	-1.342

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3430	2.1320	2.1320	1.5171	1.5171	2.1812	2.1747	2.1747	2.1812	2.1747	2.1747
C2	1.3430		1.0926	1.0926	2.5047	2.5047	2.6462	3.2363	3.2363	2.6462	3.2363	3.2363
H3	2.1320	1.0926		1.8566	2.7497	3.5115	2.4279	3.5237	3.5237	3.7378	4.1708	4.1708
H4	2.1320	1.0926	1.8566		3.5115	2.7497	3.7378	4.1708	4.1708	2.4279	3.5237	3.5237
C5	1.5171	2.5047	2.7497	3.5115		2.5691	1.0985	1.1035	1.1035	3.5189	2.8474	2.8474
C6	1.5171	2.5047	3.5115	2.7497	2.5691		3.5189	2.8474	2.8474	1.0985	1.1035	1.1035
H7	2.1812	2.6462	2.4279	3.7378	1.0985	3.5189		1.7812	1.7812	4.3501	3.8521	3.8521
H8	2.1747	3.2363	3.5237	4.1708	1.1035	2.8474	1.7812		1.7654	3.8521	3.2108	2.6819
H9	2.1747	3.2363	3.5237	4.1708	1.1035	2.8474	1.7812	1.7654		3.8521	2.6819	3.2108
H10	2.1812	2.6462	3.7378	2.4279	3.5189	1.0985	4.3501	3.8521	3.8521		1.7812	1.7812
H11	2.1747	3.2363	4.1708	3.5237	2.8474	1.1035	3.8521	3.2108	2.6819	1.7812		1.7654
H12	2.1747	3.2363	4.1708	3.5237	2.8474	1.1035	3.8521	2.6819	3.2108	1.7812	1.7654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.831	C1	C2	H4	121.831
C1	C5	H7	112.016	C1	C5	H8	111.187
C1	C5	H9	111.187	C1	C6	H10	112.016
C1	C6	H11	111.187	C1	C6	H12	111.187
C2	C1	C5	122.147	C2	C1	C6	122.147
H3	C2	H4	116.337	C5	C1	C6	115.707
H7	C5	H8	107.978	H7	C5	H9	107.978
H8	C5	H9	106.244	H10	C6	H11	107.978
H10	C6	H12	107.978	H11	C6	H12	106.244

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

using model chemistry: BLYP/6-311G*

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	0.141
2	C	-0.435
3	H	0.178
4	H	0.178
5	C	-0.635
6	C	-0.635
7	H	0.202
8	H	0.201
9	H	0.201
10	H	0.202
11	H	0.201
12	H	0.201

<r²>	92.440
(<r²>)^1/2	9.615

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

using model chemistry: BLYP/6-311G*

States and conformations

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