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	hartrees
Energy at 0K	-157.182700
Energy at 298.15K	-157.190566
Nuclear repulsion energy	119.751270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3150	3029	7.21
2	A₁	3135	3014	18.80
3	A₁	3029	2912	34.14
4	A₁	1737	1670	16.67
5	A₁	1495	1437	11.36
6	A₁	1439	1384	0.47
7	A₁	1402	1348	0.20
8	A₁	1081	1039	4.47
9	A₁	826	794	0.20
10	A₁	372	358	0.34
11	A₂	3082	2963	0.00
12	A₂	1462	1406	0.00
13	A₂	1017	978	0.00
14	A₂	705	677	0.00
15	A₂	172	165	0.00
16	B₁	3084	2965	39.58
17	B₁	1482	1425	14.67
18	B₁	1100	1058	0.62
19	B₁	921	886	38.75
20	B₁	440	423	5.41
21	B₁	212	203	0.53
22	B₂	3235	3110	16.28
23	B₂	3133	3012	20.98
24	B₂	3024	2907	18.98
25	B₂	1476	1419	3.81
26	B₂	1402	1348	8.45
27	B₂	1298	1248	3.42
28	B₂	985	947	0.25
29	B₂	957	920	0.06
30	B₂	431	415	1.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.123
C2	0.000	0.000	1.455
H3	0.000	0.924	2.026
H4	0.000	-0.924	2.026
C5	0.000	1.272	-0.677
C6	0.000	-1.272	-0.677
H7	0.000	2.157	-0.035
H8	0.878	1.324	-1.333
H9	-0.878	1.324	-1.333
H10	0.000	-2.157	-0.035
H11	-0.878	-1.324	-1.333
H12	0.878	-1.324	-1.333

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3324	2.1153	2.1153	1.5024	1.5024	2.1623	2.1549	2.1549	2.1623	2.1549	2.1549
C2	1.3324		1.0862	1.0862	2.4825	2.4825	2.6212	3.2090	3.2090	2.6212	3.2090	3.2090
H3	2.1153	1.0862		1.8489	2.7244	3.4822	2.4006	3.4941	3.4941	3.7064	4.1358	4.1358
H4	2.1153	1.0862	1.8489		3.4822	2.7244	3.7064	4.1358	4.1358	2.4006	3.4941	3.4941
C5	1.5024	2.4825	2.7244	3.4822		2.5440	1.0929	1.0976	1.0976	3.4881	2.8180	2.8180
C6	1.5024	2.4825	3.4822	2.7244	2.5440		3.4881	2.8180	2.8180	1.0929	1.0976	1.0976
H7	2.1623	2.6212	2.4006	3.7064	1.0929	3.4881		1.7746	1.7746	4.3130	3.8171	3.8171
H8	2.1549	3.2090	3.4941	4.1358	1.0976	2.8180	1.7746		1.7568	3.8171	3.1778	2.6480
H9	2.1549	3.2090	3.4941	4.1358	1.0976	2.8180	1.7746	1.7568		3.8171	2.6480	3.1778
H10	2.1623	2.6212	3.7064	2.4006	3.4881	1.0929	4.3130	3.8171	3.8171		1.7746	1.7746
H11	2.1549	3.2090	4.1358	3.4941	2.8180	1.0976	3.8171	3.1778	2.6480	1.7746		1.7568
H12	2.1549	3.2090	4.1358	3.4941	2.8180	1.0976	3.8171	2.6480	3.1778	1.7746	1.7568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.669	C1	C2	H4	121.669
C1	C5	H7	111.882	C1	C5	H8	110.992
C1	C5	H9	110.992	C1	C6	H10	111.882
C1	C6	H11	110.992	C1	C6	H12	110.992
C2	C1	C5	122.152	C2	C1	C6	122.152
H3	C2	H4	116.663	C5	C1	C6	115.696
H7	C5	H8	108.220	H7	C5	H9	108.220
H8	C5	H9	106.317	H10	C6	H11	108.220
H10	C6	H12	108.220	H11	C6	H12	106.317

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

using model chemistry: B3PW91/6-31G(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	0.352
2	C	-0.442
3	H	0.124
4	H	0.124
5	C	-0.514
6	C	-0.514
7	H	0.145
8	H	0.145
9	H	0.145
10	H	0.145
11	H	0.145
12	H	0.145

<r²>	90.402
(<r²>)^1/2	9.508

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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