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	hartrees
Energy at 0K	-157.140536
Energy at 298.15K	-157.148368
Nuclear repulsion energy	119.793460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3164	3027	8.90
2	A₁	3151	3014	19.66
3	A₁	3045	2913	39.83
4	A₁	1740	1665	23.01
5	A₁	1500	1435	15.44
6	A₁	1443	1380	1.89
7	A₁	1405	1344	0.63
8	A₁	1076	1030	3.21
9	A₁	830	794	0.15
10	A₁	373	357	0.22
11	A₂	3102	2967	0.00
12	A₂	1468	1404	0.00
13	A₂	1012	968	0.00
14	A₂	696	666	0.00
15	A₂	163	156	0.00
16	B₁	3103	2969	38.34
17	B₁	1487	1422	21.15
18	B₁	1097	1049	0.01
19	B₁	914	875	56.06
20	B₁	435	416	9.85
21	B₁	206	197	0.83
22	B₂	3251	3110	19.59
23	B₂	3150	3013	25.97
24	B₂	3041	2909	23.63
25	B₂	1479	1415	5.33
26	B₂	1410	1349	14.19
27	B₂	1302	1246	2.55
28	B₂	987	944	0.18
29	B₂	956	915	0.08
30	B₂	434	415	1.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.121
C2	0.000	0.000	1.457
H3	0.000	0.925	2.025
H4	0.000	-0.925	2.025
C5	0.000	1.271	-0.677
C6	0.000	-1.271	-0.677
H7	0.000	2.154	-0.036
H8	0.878	1.321	-1.330
H9	-0.878	1.321	-1.330
H10	0.000	-2.154	-0.036
H11	-0.878	-1.321	-1.330
H12	0.878	-1.321	-1.330

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3360	2.1168	2.1168	1.5010	1.5010	2.1597	2.1502	2.1502	2.1597	2.1502	2.1502
C2	1.3360		1.0855	1.0855	2.4842	2.4842	2.6207	3.2073	3.2073	2.6207	3.2073	3.2073
H3	2.1168	1.0855		1.8502	2.7245	3.4822	2.3994	3.4911	3.4911	3.7051	4.1323	4.1323
H4	2.1168	1.0855	1.8502		3.4822	2.7245	3.7051	4.1323	4.1323	2.3994	3.4911	3.4911
C5	1.5010	2.4842	2.7245	3.4822		2.5420	1.0915	1.0957	1.0957	3.4846	2.8137	2.8137
C6	1.5010	2.4842	3.4822	2.7245	2.5420		3.4846	2.8137	2.8137	1.0915	1.0957	1.0957
H7	2.1597	2.6207	2.3994	3.7051	1.0915	3.4846		1.7725	1.7725	4.3080	3.8110	3.8110
H8	2.1502	3.2073	3.4911	4.1323	1.0957	2.8137	1.7725		1.7569	3.8110	3.1728	2.6420
H9	2.1502	3.2073	3.4911	4.1323	1.0957	2.8137	1.7725	1.7569		3.8110	2.6420	3.1728
H10	2.1597	2.6207	3.7051	2.3994	3.4846	1.0915	4.3080	3.8110	3.8110		1.7725	1.7725
H11	2.1502	3.2073	4.1323	3.4911	2.8137	1.0957	3.8110	3.1728	2.6420	1.7725		1.7569
H12	2.1502	3.2073	4.1323	3.4911	2.8137	1.0957	3.8110	2.6420	3.1728	1.7725	1.7569

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.550	C1	C2	H4	121.550
C1	C5	H7	111.861	C1	C5	H8	110.835
C1	C5	H9	110.835	C1	C6	H10	111.861
C1	C6	H11	110.835	C1	C6	H12	110.835
C2	C1	C5	122.137	C2	C1	C6	122.137
H3	C2	H4	116.900	C5	C1	C6	115.726
H7	C5	H8	108.265	H7	C5	H9	108.265
H8	C5	H9	106.584	H10	C6	H11	108.265
H10	C6	H12	108.265	H11	C6	H12	106.584

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

using model chemistry: B1B95/6-31+G**

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	0.408
2	C	-0.397
3	H	0.136
4	H	0.136
5	C	-0.629
6	C	-0.629
7	H	0.160
8	H	0.164
9	H	0.164
10	H	0.160
11	H	0.164
12	H	0.164

<r²>	90.802
(<r²>)^1/2	9.529

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

using model chemistry: B1B95/6-31+G**

States and conformations

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