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	hartrees
Energy at 0K	-156.917297
Energy at 298.15K	-156.925246
HF Energy	-156.168716
Nuclear repulsion energy	120.500094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3201	3039	5.84
2	A₁	3173	3013	15.92
3	A₁	3079	2923	25.91
4	A₁	1736	1648	11.26
5	A₁	1525	1448	14.11
6	A₁	1462	1388	0.23
7	A₁	1418	1346	0.67
8	A₁	1092	1036	3.40
9	A₁	839	797	0.21
10	A₁	379	360	0.21
11	A₂	3135	2976	0.00
12	A₂	1495	1420	0.00
13	A₂	1033	980	0.00
14	A₂	716	680	0.00
15	A₂	177	168	0.00
16	B₁	3136	2977	29.73
17	B₁	1514	1437	16.91
18	B₁	1115	1058	0.01
19	B₁	945	897	42.51
20	B₁	439	417	7.05
21	B₁	220	209	0.47
22	B₂	3276	3110	12.13
23	B₂	3172	3011	17.54
24	B₂	3075	2920	17.21
25	B₂	1509	1433	3.98
26	B₂	1423	1351	11.82
27	B₂	1321	1254	1.29
28	B₂	999	949	0.18
29	B₂	973	924	0.05
30	B₂	435	413	1.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.108
C2	0.000	0.000	1.441
H3	0.000	0.920	2.001
H4	0.000	-0.920	2.001
C5	0.000	1.278	-0.670
C6	0.000	-1.278	-0.670
H7	0.000	2.132	-0.003
H8	0.875	1.334	-1.313
H9	-0.875	1.334	-1.313
H10	0.000	-2.132	-0.003
H11	-0.875	-1.334	-1.313
H12	0.875	-1.334	-1.313

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3324	2.1045	2.1045	1.4967	1.4967	2.1352	2.1366	2.1366	2.1352	2.1366	2.1366
C2	1.3324		1.0771	1.0771	2.4677	2.4677	2.5753	3.1823	3.1823	2.5753	3.1823	3.1823
H3	2.1045	1.0771		1.8394	2.6953	3.4594	2.3429	3.4525	3.4525	3.6515	4.1023	4.1023
H4	2.1045	1.0771	1.8394		3.4594	2.6953	3.6515	4.1023	4.1023	2.3429	3.4525	3.4525
C5	1.4967	2.4677	2.6953	3.4594		2.5567	1.0833	1.0869	1.0869	3.4752	2.8292	2.8292
C6	1.4967	2.4677	3.4594	2.6953	2.5567		3.4752	2.8292	2.8292	1.0833	1.0869	1.0869
H7	2.1352	2.5753	2.3429	3.6515	1.0833	3.4752		1.7653	1.7653	4.2646	3.8075	3.8075
H8	2.1366	3.1823	3.4525	4.1023	1.0869	2.8292	1.7653		1.7495	3.8075	3.1910	2.6686
H9	2.1366	3.1823	3.4525	4.1023	1.0869	2.8292	1.7653	1.7495		3.8075	2.6686	3.1910
H10	2.1352	2.5753	3.6515	2.3429	3.4752	1.0833	4.2646	3.8075	3.8075		1.7653	1.7653
H11	2.1366	3.1823	4.1023	3.4525	2.8292	1.0869	3.8075	3.1910	2.6686	1.7653		1.7495
H12	2.1366	3.1823	4.1023	3.4525	2.8292	1.0869	3.8075	2.6686	3.1910	1.7653	1.7495

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.363	C1	C2	H4	121.363
C1	C5	H7	110.686	C1	C5	H8	110.580
C1	C5	H9	110.580	C1	C6	H10	110.686
C1	C6	H11	110.580	C1	C6	H12	110.580
C2	C1	C5	121.338	C2	C1	C6	121.338
H3	C2	H4	117.275	C5	C1	C6	117.323
H7	C5	H8	108.859	H7	C5	H9	108.859
H8	C5	H9	107.184	H10	C6	H11	108.859
H10	C6	H12	108.859	H11	C6	H12	107.184

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CH2C(CH3)CH3 (1-Propene, 2-methyl-)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

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