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	hartrees
Energy at 0K	-156.170338
Energy at 298.15K	-156.178517
Nuclear repulsion energy	120.377178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3277	2983	10.26
2	A₁	3238	2948	26.00
3	A₁	3152	2869	54.80
4	A₁	1848	1682	32.55
5	A₁	1619	1474	14.11
6	A₁	1564	1424	0.69
7	A₁	1532	1395	0.50
8	A₁	1175	1070	1.88
9	A₁	856	780	0.03
10	A₁	404	367	0.43
11	A₂	3186	2900	0.00
12	A₂	1590	1447	0.00
13	A₂	1107	1008	0.00
14	A₂	765	697	0.00
15	A₂	182	166	0.00
16	B₁	3191	2905	61.18
17	B₁	1608	1464	14.64
18	B₁	1208	1100	0.29
19	B₁	1040	947	56.61
20	B₁	480	437	9.32
21	B₁	229	209	0.36
22	B₂	3351	3051	22.13
23	B₂	3236	2946	34.69
24	B₂	3145	2863	20.52
25	B₂	1600	1457	3.83
26	B₂	1538	1401	6.15
27	B₂	1398	1272	2.32
28	B₂	1061	966	0.26
29	B₂	1033	941	0.00
30	B₂	470	428	1.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.127
C2	0.000	0.000	1.446
H3	0.000	0.915	2.009
H4	0.000	-0.915	2.009
C5	0.000	1.272	-0.675
C6	0.000	-1.272	-0.675
H7	0.000	2.147	-0.039
H8	0.873	1.317	-1.320
H9	-0.873	1.317	-1.320
H10	0.000	-2.147	-0.039
H11	-0.873	-1.317	-1.320
H12	0.873	-1.317	-1.320

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3187	2.0924	2.0924	1.5043	1.5043	2.1532	2.1427	2.1427	2.1532	2.1427	2.1427
C2	1.3187		1.0743	1.0743	2.4737	2.4737	2.6106	3.1855	3.1855	2.6106	3.1855	3.1855
H3	2.0924	1.0743		1.8298	2.7082	3.4627	2.3904	3.4650	3.4650	3.6838	4.1021	4.1021
H4	2.0924	1.0743	1.8298		3.4627	2.7082	3.6838	4.1021	4.1021	2.3904	3.4650	3.4650
C5	1.5043	2.4737	2.7082	3.4627		2.5445	1.0813	1.0858	1.0858	3.4776	2.8075	2.8075
C6	1.5043	2.4737	3.4627	2.7082	2.5445		3.4776	2.8075	2.8075	1.0813	1.0858	1.0858
H7	2.1532	2.6106	2.3904	3.6838	1.0813	3.4776		1.7576	1.7576	4.2934	3.7947	3.7947
H8	2.1427	3.1855	3.4650	4.1021	1.0858	2.8075	1.7576		1.7451	3.7947	3.1600	2.6345
H9	2.1427	3.1855	3.4650	4.1021	1.0858	2.8075	1.7576	1.7451		3.7947	2.6345	3.1600
H10	2.1532	2.6106	3.6838	2.3904	3.4776	1.0813	4.2934	3.7947	3.7947		1.7576	1.7576
H11	2.1427	3.1855	4.1021	3.4650	2.8075	1.0858	3.7947	3.1600	2.6345	1.7576		1.7451
H12	2.1427	3.1855	4.1021	3.4650	2.8075	1.0858	3.7947	2.6345	3.1600	1.7576	1.7451

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.607	C1	C2	H4	121.607
C1	C5	H7	111.723	C1	C5	H8	110.602
C1	C5	H9	110.602	C1	C6	H10	111.723
C1	C6	H11	110.602	C1	C6	H12	110.602
C2	C1	C5	122.251	C2	C1	C6	122.251
H3	C2	H4	116.786	C5	C1	C6	115.499
H7	C5	H8	108.401	H7	C5	H9	108.401
H8	C5	H9	106.955	H10	C6	H11	108.401
H10	C6	H12	108.401	H11	C6	H12	106.955

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

using model chemistry: HF/aug-cc-pVTZ

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	0.871
2	C	-1.260
3	H	0.341
4	H	0.341
5	C	-0.946
6	C	-0.946
7	H	0.257
8	H	0.271
9	H	0.271
10	H	0.257
11	H	0.271
12	H	0.271

<r²>	90.291
(<r²>)^1/2	9.502

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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