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	hartrees
Energy at 0K	-157.180407
Energy at 298.15K	-157.188187
HF Energy	-157.180407
Nuclear repulsion energy	119.445737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3082	3037	13.25
2	A₁	3064	3020	22.31
3	A₁	2966	2923	47.92
4	A₁	1677	1653	20.13
5	A₁	1476	1455	13.29
6	A₁	1414	1394	1.42
7	A₁	1387	1367	0.58
8	A₁	1063	1048	2.82
9	A₁	801	789	0.14
10	A₁	377	372	0.26
11	A₂	3008	2964	0.00
12	A₂	1444	1423	0.00
13	A₂	1001	987	0.00
14	A₂	683	673	0.00
15	A₂	154	152	0.00
16	B₁	3010	2967	52.14
17	B₁	1464	1443	17.88
18	B₁	1082	1066	0.04
19	B₁	879	866	45.95
20	B₁	428	422	8.98
21	B₁	200	197	0.78
22	B₂	3162	3117	23.52
23	B₂	3062	3018	31.28
24	B₂	2960	2918	24.03
25	B₂	1458	1437	4.14
26	B₂	1380	1360	8.51
27	B₂	1267	1249	4.86
28	B₂	965	951	0.36
29	B₂	942	928	0.09
30	B₂	434	427	1.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.123
C2	0.000	0.000	1.461
H3	0.000	0.927	2.031
H4	0.000	-0.927	2.031
C5	0.000	1.275	-0.680
C6	0.000	-1.275	-0.680
H7	0.000	2.161	-0.037
H8	0.881	1.322	-1.335
H9	-0.881	1.322	-1.335
H10	0.000	-2.161	-0.037
H11	-0.881	-1.322	-1.335
H12	0.881	-1.322	-1.335

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3381	2.1211	2.1211	1.5066	1.5066	2.1668	2.1570	2.1570	2.1668	2.1570	2.1570
C2	1.3381		1.0882	1.0882	2.4918	2.4918	2.6297	3.2167	3.2167	2.6297	3.2167	3.2167
H3	2.1211	1.0882		1.8544	2.7328	3.4923	2.4083	3.5022	3.5022	3.7167	4.1437	4.1437
H4	2.1211	1.0882	1.8544		3.4923	2.7328	3.7167	4.1437	4.1437	2.4083	3.5022	3.5022
C5	1.5066	2.4918	2.7328	3.4923		2.5496	1.0943	1.0991	1.0991	3.4951	2.8199	2.8199
C6	1.5066	2.4918	3.4923	2.7328	2.5496		3.4951	2.8199	2.8199	1.0943	1.0991	1.0991
H7	2.1668	2.6297	2.4083	3.7167	1.0943	3.4951		1.7786	1.7786	4.3216	3.8202	3.8202
H8	2.1570	3.2167	3.5022	4.1437	1.0991	2.8199	1.7786		1.7614	3.8202	3.1777	2.6449
H9	2.1570	3.2167	3.5022	4.1437	1.0991	2.8199	1.7786	1.7614		3.8202	2.6449	3.1777
H10	2.1668	2.6297	3.7167	2.4083	3.4951	1.0943	4.3216	3.8202	3.8202		1.7786	1.7786
H11	2.1570	3.2167	4.1437	3.5022	2.8199	1.0991	3.8202	3.1777	2.6449	1.7786		1.7614
H12	2.1570	3.2167	4.1437	3.5022	2.8199	1.0991	3.8202	2.6449	3.1777	1.7786	1.7614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.563	C1	C2	H4	121.563
C1	C5	H7	111.860	C1	C5	H8	110.775
C1	C5	H9	110.775	C1	C6	H10	111.860
C1	C6	H11	110.775	C1	C6	H12	110.775
C2	C1	C5	122.204	C2	C1	C6	122.204
H3	C2	H4	116.875	C5	C1	C6	115.593
H7	C5	H8	108.368	H7	C5	H9	108.368
H8	C5	H9	106.502	H10	C6	H11	108.368
H10	C6	H12	108.368	H11	C6	H12	106.502

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

using model chemistry: B97D3/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	0.016
2	C	-0.226
3	H	0.092
4	H	0.092
5	C	-0.326
6	C	-0.326
7	H	0.115
8	H	0.112
9	H	0.112
10	H	0.115
11	H	0.112
12	H	0.112

<r²>	91.285
(<r²>)^1/2	9.554

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

using model chemistry: B97D3/TZVP

States and conformations

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