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	hartrees
Energy at 0K	-157.155745
Energy at 298.15K	-157.163574
Nuclear repulsion energy	120.032753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3145	3015	14.29
2	A₁	3135	3006	23.57
3	A₁	3038	2912	41.75
4	A₁	1745	1673	17.65
5	A₁	1513	1450	15.57
6	A₁	1450	1390	0.71
7	A₁	1416	1357	0.69
8	A₁	1082	1037	3.57
9	A₁	830	796	0.14
10	A₁	370	355	0.24
11	A₂	3086	2958	0.00
12	A₂	1481	1420	0.00
13	A₂	1022	980	0.00
14	A₂	701	672	0.00
15	A₂	158	152	0.00
16	B₁	3088	2960	56.45
17	B₁	1502	1439	21.71
18	B₁	1105	1059	0.17
19	B₁	906	869	50.05
20	B₁	435	417	8.95
21	B₁	204	196	0.55
22	B₂	3228	3094	25.06
23	B₂	3134	3004	28.49
24	B₂	3033	2907	23.54
25	B₂	1496	1434	5.15
26	B₂	1419	1361	14.00
27	B₂	1308	1254	2.47
28	B₂	991	950	0.13
29	B₂	962	922	0.08
30	B₂	433	416	1.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.122
C2	0.000	0.000	1.452
H3	0.000	0.923	2.021
H4	0.000	-0.923	2.021
C5	0.000	1.269	-0.675
C6	0.000	-1.269	-0.675
H7	0.000	2.152	-0.036
H8	0.876	1.322	-1.328
H9	-0.876	1.322	-1.328
H10	0.000	-2.152	-0.036
H11	-0.876	-1.322	-1.328
H12	0.876	-1.322	-1.328

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3297	2.1117	2.1117	1.4986	1.4986	2.1576	2.1493	2.1493	2.1576	2.1493	2.1493
C2	1.3297		1.0847	1.0847	2.4768	2.4768	2.6161	3.2009	3.2009	2.6161	3.2009	3.2009
H3	2.1117	1.0847		1.8464	2.7185	3.4751	2.3962	3.4853	3.4853	3.6998	4.1266	4.1266
H4	2.1117	1.0847	1.8464		3.4751	2.7185	3.6998	4.1266	4.1266	2.3962	3.4853	3.4853
C5	1.4986	2.4768	2.7185	3.4751		2.5378	1.0899	1.0944	1.0944	3.4799	2.8119	2.8119
C6	1.4986	2.4768	3.4751	2.7185	2.5378		3.4799	2.8119	2.8119	1.0899	1.0944	1.0944
H7	2.1576	2.6161	2.3962	3.6998	1.0899	3.4799		1.7684	1.7684	4.3036	3.8085	3.8085
H8	2.1493	3.2009	3.4853	4.1266	1.0944	2.8119	1.7684		1.7529	3.8085	3.1721	2.6438
H9	2.1493	3.2009	3.4853	4.1266	1.0944	2.8119	1.7684	1.7529		3.8085	2.6438	3.1721
H10	2.1576	2.6161	3.6998	2.3962	3.4799	1.0899	4.3036	3.8085	3.8085		1.7684	1.7684
H11	2.1493	3.2009	4.1266	3.4853	2.8119	1.0944	3.8085	3.1721	2.6438	1.7684		1.7529
H12	2.1493	3.2009	4.1266	3.4853	2.8119	1.0944	3.8085	2.6438	3.1721	1.7684	1.7529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.665	C1	C2	H4	121.665
C1	C5	H7	111.957	C1	C5	H8	111.012
C1	C5	H9	111.012	C1	C6	H10	111.957
C1	C6	H11	111.012	C1	C6	H12	111.012
C2	C1	C5	122.143	C2	C1	C6	122.143
H3	C2	H4	116.670	C5	C1	C6	115.714
H7	C5	H8	108.108	H7	C5	H9	108.108
H8	C5	H9	106.422	H10	C6	H11	108.108
H10	C6	H12	108.108	H11	C6	H12	106.422

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

using model chemistry: B1B95/6-311G*

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	0.100
2	C	-0.467
3	H	0.202
4	H	0.202
5	C	-0.691
6	C	-0.691
7	H	0.224
8	H	0.224
9	H	0.224
10	H	0.224
11	H	0.224
12	H	0.224

<r²>	90.308
(<r²>)^1/2	9.503

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

using model chemistry: B1B95/6-311G*

States and conformations

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