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	hartrees
Energy at 0K	-157.286292
Energy at 298.15K	-157.294173
HF Energy	-157.286292
Nuclear repulsion energy	119.753493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3135	3026	8.96
2	A₁	3108	3001	19.60
3	A₁	3018	2914	41.24
4	A₁	1717	1658	21.32
5	A₁	1506	1454	14.51
6	A₁	1447	1397	1.25
7	A₁	1419	1370	0.60
8	A₁	1086	1048	2.61
9	A₁	814	786	0.15
10	A₁	382	368	0.26
11	A₂	3055	2949	0.00
12	A₂	1474	1423	0.00
13	A₂	1023	988	0.00
14	A₂	702	678	0.00
15	A₂	163	158	0.00
16	B₁	3058	2952	45.90
17	B₁	1493	1441	19.38
18	B₁	1109	1070	0.01
19	B₁	921	889	49.43
20	B₁	442	427	9.10
21	B₁	207	200	0.68
22	B₂	3213	3102	18.89
23	B₂	3107	2999	27.59
24	B₂	3012	2908	19.04
25	B₂	1488	1436	4.78
26	B₂	1414	1365	10.20
27	B₂	1296	1251	4.09
28	B₂	986	952	0.31
29	B₂	961	928	0.02
30	B₂	442	427	1.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.124
C2	0.000	0.000	1.456
H3	0.000	0.923	2.024
H4	0.000	-0.923	2.024
C5	0.000	1.274	-0.678
C6	0.000	-1.274	-0.678
H7	0.000	2.156	-0.037
H8	0.878	1.324	-1.330
H9	-0.878	1.324	-1.330
H10	0.000	-2.156	-0.037
H11	-0.878	-1.324	-1.330
H12	0.878	-1.324	-1.330

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3318	2.1126	2.1126	1.5051	1.5051	2.1619	2.1538	2.1538	2.1619	2.1538	2.1538
C2	1.3318		1.0838	1.0838	2.4846	2.4846	2.6219	3.2071	3.2071	2.6219	3.2071	3.2071
H3	2.1126	1.0838		1.8453	2.7246	3.4821	2.4016	3.4906	3.4906	3.7047	4.1319	4.1319
H4	2.1126	1.0838	1.8453		3.4821	2.7246	3.7047	4.1319	4.1319	2.4016	3.4906	3.4906
C5	1.5051	2.4846	2.7246	3.4821		2.5480	1.0903	1.0950	1.0950	3.4893	2.8192	2.8192
C6	1.5051	2.4846	3.4821	2.7246	2.5480		3.4893	2.8192	2.8192	1.0903	1.0950	1.0950
H7	2.1619	2.6219	2.4016	3.7047	1.0903	3.4893		1.7708	1.7708	4.3119	3.8153	3.8153
H8	2.1538	3.2071	3.4906	4.1319	1.0950	2.8192	1.7708		1.7554	3.8153	3.1776	2.6487
H9	2.1538	3.2071	3.4906	4.1319	1.0950	2.8192	1.7708	1.7554		3.8153	2.6487	3.1776
H10	2.1619	2.6219	3.7047	2.4016	3.4893	1.0903	4.3119	3.8153	3.8153		1.7708	1.7708
H11	2.1538	3.2071	4.1319	3.4906	2.8192	1.0950	3.8153	3.1776	2.6487	1.7708		1.7554
H12	2.1538	3.2071	4.1319	3.4906	2.8192	1.0950	3.8153	2.6487	3.1776	1.7708	1.7554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.646	C1	C2	H4	121.646
C1	C5	H7	111.817	C1	C5	H8	110.874
C1	C5	H9	110.874	C1	C6	H10	111.817
C1	C6	H11	110.874	C1	C6	H12	110.874
C2	C1	C5	122.171	C2	C1	C6	122.171
H3	C2	H4	116.707	C5	C1	C6	115.658
H7	C5	H8	108.257	H7	C5	H9	108.257
H8	C5	H9	106.563	H10	C6	H11	108.257
H10	C6	H12	108.257	H11	C6	H12	106.563

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

using model chemistry: B3LYP/TZVP

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	0.020
2	C	-0.239
3	H	0.099
4	H	0.099
5	C	-0.350
6	C	-0.350
7	H	0.121
8	H	0.120
9	H	0.120
10	H	0.121
11	H	0.120
12	H	0.120

<r²>	91.063
(<r²>)^1/2	9.543

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

using model chemistry: B3LYP/TZVP

States and conformations

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