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	hartrees
Energy at 0K	-156.182329
Energy at 298.15K	-156.190273
HF Energy	-156.182329
Nuclear repulsion energy	119.549667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3170	3054	5.81
2	A₁	3151	3036	13.22
3	A₁	3053	2940	25.74
4	A₁	1754	1690	11.54
5	A₁	1560	1503	16.31
6	A₁	1493	1438	0.63
7	A₁	1463	1410	4.37
8	A₁	1121	1079	6.37
9	A₁	819	789	0.03
10	A₁	380	366	0.42
11	A₂	3103	2989	0.00
12	A₂	1535	1478	0.00
13	A₂	1060	1021	0.00
14	A₂	720	693	0.00
15	A₂	176	170	0.00
16	B₁	3107	2993	35.16
17	B₁	1555	1498	25.51
18	B₁	1146	1104	6.10
19	B₁	951	916	59.99
20	B₁	434	418	10.89
21	B₁	211	204	1.06
22	B₂	3253	3134	15.19
23	B₂	3149	3034	18.18
24	B₂	3048	2936	13.46
25	B₂	1545	1488	6.41
26	B₂	1450	1397	19.53
27	B₂	1323	1274	7.79
28	B₂	1017	980	0.37
29	B₂	985	949	0.45
30	B₂	445	429	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.128
C2	0.000	0.000	1.461
H3	0.000	0.925	2.030
H4	0.000	-0.925	2.030
C5	0.000	1.273	-0.682
C6	0.000	-1.273	-0.682
H7	0.000	2.157	-0.038
H8	0.885	1.312	-1.332
H9	-0.885	1.312	-1.332
H10	0.000	-2.157	-0.038
H11	-0.885	-1.312	-1.332
H12	0.885	-1.312	-1.332

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3330	2.1151	2.1151	1.5086	1.5086	2.1637	2.1535	2.1535	2.1637	2.1535	2.1535
C2	1.3330		1.0862	1.0862	2.4926	2.4926	2.6273	3.2106	3.2106	2.6273	3.2106	3.2106
H3	2.1151	1.0862		1.8504	2.7344	3.4909	2.4076	3.4984	3.4984	3.7122	4.1346	4.1346
H4	2.1151	1.0862	1.8504		3.4909	2.7344	3.7122	4.1346	4.1346	2.4076	3.4984	3.4984
C5	1.5086	2.4926	2.7344	3.4909		2.5451	1.0942	1.0985	1.0985	3.4897	2.8082	2.8082
C6	1.5086	2.4926	3.4909	2.7344	2.5451		3.4897	2.8082	2.8082	1.0942	1.0985	1.0985
H7	2.1637	2.6273	2.4076	3.7122	1.0942	3.4897		1.7808	1.7808	4.3146	3.8072	3.8072
H8	2.1535	3.2106	3.4984	4.1346	1.0985	2.8082	1.7808		1.7691	3.8072	3.1650	2.6244
H9	2.1535	3.2106	3.4984	4.1346	1.0985	2.8082	1.7808	1.7691		3.8072	2.6244	3.1650
H10	2.1637	2.6273	3.7122	2.4076	3.4897	1.0942	4.3146	3.8072	3.8072		1.7808	1.7808
H11	2.1535	3.2106	4.1346	3.4984	2.8082	1.0985	3.8072	3.1650	2.6244	1.7808		1.7691
H12	2.1535	3.2106	4.1346	3.4984	2.8082	1.0985	3.8072	2.6244	3.1650	1.7808	1.7691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.590	C1	C2	H4	121.590
C1	C5	H7	111.470	C1	C5	H8	110.387
C1	C5	H9	110.387	C1	C6	H10	111.470
C1	C6	H11	110.387	C1	C6	H12	110.387
C2	C1	C5	122.488	C2	C1	C6	122.488
H3	C2	H4	116.821	C5	C1	C6	115.024
H7	C5	H8	108.606	H7	C5	H9	108.606
H8	C5	H9	107.263	H10	C6	H11	108.606
H10	C6	H12	108.606	H11	C6	H12	107.263

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

using model chemistry: HSEh1PBE/3-21G

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: HSEh1PBE/3-21G

States and conformations

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