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	hartrees
Energy at 0K	-157.200105
Energy at 298.15K	-157.207994
Nuclear repulsion energy	119.936952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3168	3025	6.61
2	A₁	3154	3011	18.22
3	A₁	3047	2909	32.78
4	A₁	1752	1672	17.09
5	A₁	1503	1435	11.72
6	A₁	1447	1381	0.45
7	A₁	1409	1345	0.22
8	A₁	1087	1037	4.55
9	A₁	833	795	0.20
10	A₁	373	356	0.35
11	A₂	3102	2961	0.00
12	A₂	1470	1404	0.00
13	A₂	1023	976	0.00
14	A₂	710	678	0.00
15	A₂	173	165	0.00
16	B₁	3104	2963	37.68
17	B₁	1490	1422	15.12
18	B₁	1107	1057	0.62
19	B₁	930	888	39.28
20	B₁	442	422	5.51
21	B₁	214	204	0.54
22	B₂	3254	3107	15.34
23	B₂	3152	3009	20.09
24	B₂	3042	2904	18.40
25	B₂	1483	1416	3.90
26	B₂	1411	1347	9.35
27	B₂	1307	1248	3.02
28	B₂	991	946	0.19
29	B₂	962	919	0.09
30	B₂	433	413	1.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.123
C2	0.000	0.000	1.453
H3	0.000	0.924	2.022
H4	0.000	-0.924	2.022
C5	0.000	1.270	-0.676
C6	0.000	-1.270	-0.676
H7	0.000	2.153	-0.035
H8	0.877	1.321	-1.331
H9	-0.877	1.321	-1.331
H10	0.000	-2.153	-0.035
H11	-0.877	-1.321	-1.331
H12	0.877	-1.321	-1.331

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3303	2.1118	2.1118	1.5002	1.5002	2.1588	2.1511	2.1511	2.1588	2.1511	2.1511
C2	1.3303		1.0847	1.0847	2.4789	2.4789	2.6170	3.2037	3.2037	2.6170	3.2037	3.2037
H3	2.1118	1.0847		1.8471	2.7199	3.4769	2.3960	3.4882	3.4882	3.7006	4.1288	4.1288
H4	2.1118	1.0847	1.8471		3.4769	2.7199	3.7006	4.1288	4.1288	2.3960	3.4882	3.4882
C5	1.5002	2.4789	2.7199	3.4769		2.5398	1.0913	1.0960	1.0960	3.4825	2.8126	2.8126
C6	1.5002	2.4789	3.4769	2.7199	2.5398		3.4825	2.8126	2.8126	1.0913	1.0960	1.0960
H7	2.1588	2.6170	2.3960	3.7006	1.0913	3.4825		1.7726	1.7726	4.3060	3.8101	3.8101
H8	2.1511	3.2037	3.4882	4.1288	1.0960	2.8126	1.7726		1.7548	3.8101	3.1714	2.6417
H9	2.1511	3.2037	3.4882	4.1288	1.0960	2.8126	1.7726	1.7548		3.8101	2.6417	3.1714
H10	2.1588	2.6170	3.7006	2.3960	3.4825	1.0913	4.3060	3.8101	3.8101		1.7726	1.7726
H11	2.1511	3.2037	4.1288	3.4882	2.8126	1.0960	3.8101	3.1714	2.6417	1.7726		1.7548
H12	2.1511	3.2037	4.1288	3.4882	2.8126	1.0960	3.8101	2.6417	3.1714	1.7726	1.7548

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.627	C1	C2	H4	121.627
C1	C5	H7	111.853	C1	C5	H8	110.942
C1	C5	H9	110.942	C1	C6	H10	111.853
C1	C6	H11	110.942	C1	C6	H12	110.942
C2	C1	C5	122.166	C2	C1	C6	122.166
H3	C2	H4	116.746	C5	C1	C6	115.669
H7	C5	H8	108.267	H7	C5	H9	108.267
H8	C5	H9	106.361	H10	C6	H11	108.267
H10	C6	H12	108.267	H11	C6	H12	106.361

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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	0.335
2	C	-0.445
3	H	0.128
4	H	0.128
5	C	-0.517
6	C	-0.517
7	H	0.148
8	H	0.148
9	H	0.148
10	H	0.148
11	H	0.148
12	H	0.148

<r²>	90.145
(<r²>)^1/2	9.494

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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