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	hartrees
Energy at 0K	-156.164182
Energy at 298.15K	-156.172321
HF Energy	-156.164182
Nuclear repulsion energy	120.289926

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3284	2984	10.07
2	A₁	3247	2950	27.07
3	A₁	3160	2871	53.32
4	A₁	1854	1684	29.22
5	A₁	1623	1475	13.81
6	A₁	1568	1424	0.52
7	A₁	1534	1394	0.24
8	A₁	1175	1068	1.39
9	A₁	856	777	0.01
10	A₁	405	368	0.29
11	A₂	3198	2905	0.00
12	A₂	1591	1446	0.00
13	A₂	1107	1006	0.00
14	A₂	764	694	0.00
15	A₂	170	155	0.00
16	B₁	3203	2910	68.68
17	B₁	1610	1463	17.23
18	B₁	1207	1097	0.25
19	B₁	1042	947	60.76
20	B₁	475	431	8.39
21	B₁	220	200	0.52
22	B₂	3360	3053	23.19
23	B₂	3245	2948	36.40
24	B₂	3154	2866	22.68
25	B₂	1605	1458	4.30
26	B₂	1540	1399	6.31
27	B₂	1397	1270	3.11
28	B₂	1061	964	0.21
29	B₂	1032	938	0.02
30	B₂	472	429	1.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.128
C2	0.000	0.000	1.447
H3	0.000	0.915	2.012
H4	0.000	-0.915	2.012
C5	0.000	1.273	-0.676
C6	0.000	-1.273	-0.676
H7	0.000	2.149	-0.040
H8	0.874	1.318	-1.320
H9	-0.874	1.318	-1.320
H10	0.000	-2.149	-0.040
H11	-0.874	-1.318	-1.320
H12	0.874	-1.318	-1.320

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3184	2.0939	2.0939	1.5060	1.5060	2.1555	2.1445	2.1445	2.1555	2.1445	2.1445
C2	1.3184		1.0755	1.0755	2.4752	2.4752	2.6129	3.1869	3.1869	2.6129	3.1869	3.1869
H3	2.0939	1.0755		1.8303	2.7113	3.4658	2.3939	3.4681	3.4681	3.6874	4.1051	4.1051
H4	2.0939	1.0755	1.8303		3.4658	2.7113	3.6874	4.1051	4.1051	2.3939	3.4681	3.4681
C5	1.5060	2.4752	2.7113	3.4658		2.5464	1.0824	1.0865	1.0865	3.4808	2.8093	2.8093
C6	1.5060	2.4752	3.4658	2.7113	2.5464		3.4808	2.8093	2.8093	1.0824	1.0865	1.0865
H7	2.1555	2.6129	2.3939	3.6874	1.0824	3.4808		1.7589	1.7589	4.2978	3.7976	3.7976
H8	2.1445	3.1869	3.4681	4.1051	1.0865	2.8093	1.7589		1.7473	3.7976	3.1623	2.6357
H9	2.1445	3.1869	3.4681	4.1051	1.0865	2.8093	1.7589	1.7473		3.7976	2.6357	3.1623
H10	2.1555	2.6129	3.6874	2.3939	3.4808	1.0824	4.2978	3.7976	3.7976		1.7589	1.7589
H11	2.1445	3.1869	4.1051	3.4681	2.8093	1.0865	3.7976	3.1623	2.6357	1.7589		1.7473
H12	2.1445	3.1869	4.1051	3.4681	2.8093	1.0865	3.7976	2.6357	3.1623	1.7589	1.7473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.688	C1	C2	H4	121.688
C1	C5	H7	111.722	C1	C5	H8	110.577
C1	C5	H9	110.577	C1	C6	H10	111.722
C1	C6	H11	110.577	C1	C6	H12	110.577
C2	C1	C5	122.280	C2	C1	C6	122.280
H3	C2	H4	116.624	C5	C1	C6	115.439
H7	C5	H8	108.381	H7	C5	H9	108.381
H8	C5	H9	107.047	H10	C6	H11	108.381
H10	C6	H12	108.381	H11	C6	H12	107.047

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

using model chemistry: HF/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	0.105
2	C	-0.301
3	H	0.097
4	H	0.097
5	C	-0.266
6	C	-0.266
7	H	0.094
8	H	0.086
9	H	0.086
10	H	0.094
11	H	0.086
12	H	0.086

<r²>	90.435
(<r²>)^1/2	9.510

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

using model chemistry: HF/TZVP

States and conformations

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