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	hartrees
Energy at 0K	-156.713895
Energy at 298.15K	-156.721786
Nuclear repulsion energy	118.887711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3171	3041	8.07
2	A₁	3160	3031	20.18
3	A₁	3047	2922	30.42
4	A₁	1706	1636	12.27
5	A₁	1492	1431	12.24
6	A₁	1438	1379	0.80
7	A₁	1393	1336	0.22
8	A₁	1074	1030	2.79
9	A₁	830	796	0.16
10	A₁	376	360	0.18
11	A₂	3119	2991	0.00
12	A₂	1458	1398	0.00
13	A₂	1008	967	0.00
14	A₂	699	671	0.00
15	A₂	176	169	0.00
16	B₁	3120	2992	34.04
17	B₁	1478	1417	15.31
18	B₁	1086	1041	0.89
19	B₁	910	873	42.53
20	B₁	429	411	8.13
21	B₁	219	210	0.55
22	B₂	3271	3137	15.03
23	B₂	3159	3030	20.18
24	B₂	3044	2919	21.14
25	B₂	1473	1413	3.55
26	B₂	1402	1344	10.03
27	B₂	1304	1251	0.77
28	B₂	991	951	0.25
29	B₂	958	919	0.04
30	B₂	433	415	1.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.118
C2	0.000	0.000	1.471
H3	0.000	0.936	2.038
H4	0.000	-0.936	2.038
C5	0.000	1.280	-0.683
C6	0.000	-1.280	-0.683
H7	0.000	2.166	-0.031
H8	0.887	1.326	-1.339
H9	-0.887	1.326	-1.339
H10	0.000	-2.166	-0.031
H11	-0.887	-1.326	-1.339
H12	0.887	-1.326	-1.339

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3531	2.1354	2.1354	1.5098	1.5098	2.1713	2.1605	2.1605	2.1713	2.1605	2.1605
C2	1.3531		1.0937	1.0937	2.5057	2.5057	2.6363	3.2313	3.2313	2.6363	3.2313	3.2313
H3	2.1354	1.0937		1.8711	2.7425	3.5085	2.4074	3.5128	3.5128	3.7285	4.1596	4.1596
H4	2.1354	1.0937	1.8711		3.5085	2.7425	3.7285	4.1596	4.1596	2.4074	3.5128	3.5128
C5	1.5098	2.5057	2.7425	3.5085		2.5593	1.1003	1.1040	1.1040	3.5069	2.8296	2.8296
C6	1.5098	2.5057	3.5085	2.7425	2.5593		3.5069	2.8296	2.8296	1.1003	1.1040	1.1040
H7	2.1713	2.6363	2.4074	3.7285	1.1003	3.5069		1.7893	1.7893	4.3323	3.8330	3.8330
H8	2.1605	3.2313	3.5128	4.1596	1.1040	2.8296	1.7893		1.7741	3.8330	3.1909	2.6522
H9	2.1605	3.2313	3.5128	4.1596	1.1040	2.8296	1.7893	1.7741		3.8330	2.6522	3.1909
H10	2.1713	2.6363	3.7285	2.4074	3.5069	1.1003	4.3323	3.8330	3.8330		1.7893	1.7893
H11	2.1605	3.2313	4.1596	3.5128	2.8296	1.1040	3.8330	3.1909	2.6522	1.7893		1.7741
H12	2.1605	3.2313	4.1596	3.5128	2.8296	1.1040	3.8330	2.6522	3.1909	1.7893	1.7741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.195	C1	C2	H4	121.195
C1	C5	H7	111.625	C1	C5	H8	110.537
C1	C5	H9	110.537	C1	C6	H10	111.625
C1	C6	H11	110.537	C1	C6	H12	110.537
C2	C1	C5	122.052	C2	C1	C6	122.052
H3	C2	H4	117.610	C5	C1	C6	115.895
H7	C5	H8	108.533	H7	C5	H9	108.533
H8	C5	H9	106.927	H10	C6	H11	108.533
H10	C6	H12	108.533	H11	C6	H12	106.927

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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