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	hartrees
Energy at 0K	-157.055500
Energy at 298.15K	-157.063255
HF Energy	-157.055500
Nuclear repulsion energy	119.399842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3067	3030	9.03
2	A₁	3053	3016	17.21
3	A₁	2954	2918	37.03
4	A₁	1669	1649	21.22
5	A₁	1449	1431	15.16
6	A₁	1391	1374	1.38
7	A₁	1358	1341	1.17
8	A₁	1045	1032	3.57
9	A₁	807	797	0.25
10	A₁	367	362	0.33
11	A₂	2998	2961	0.00
12	A₂	1416	1399	0.00
13	A₂	983	971	0.00
14	A₂	679	671	0.00
15	A₂	169	166	0.00
16	B₁	2999	2963	34.77
17	B₁	1435	1417	17.14
18	B₁	1062	1049	0.01
19	B₁	878	868	43.57
20	B₁	426	421	8.47
21	B₁	205	203	0.55
22	B₂	3150	3112	17.34
23	B₂	3051	3014	22.94
24	B₂	2949	2913	18.61
25	B₂	1429	1412	3.95
26	B₂	1355	1338	12.57
27	B₂	1262	1247	2.85
28	B₂	958	947	0.48
29	B₂	928	917	0.00
30	B₂	423	418	1.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.110
C2	0.000	0.000	1.453
H3	0.000	0.929	2.025
H4	0.000	-0.929	2.025
C5	0.000	1.289	-0.676
C6	0.000	-1.289	-0.676
H7	0.000	2.155	-0.004
H8	0.884	1.348	-1.329
H9	-0.884	1.348	-1.329
H10	0.000	-2.155	-0.004
H11	-0.884	-1.348	-1.329
H12	0.884	-1.348	-1.329

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3428	2.1286	2.1286	1.5097	1.5097	2.1585	2.1613	2.1613	2.1585	2.1613	2.1613
C2	1.3428		1.0915	1.0915	2.4885	2.4885	2.6019	3.2157	3.2157	2.6019	3.2157	3.2157
H3	2.1286	1.0915		1.8590	2.7246	3.4951	2.3711	3.4941	3.4941	3.6927	4.1499	4.1499
H4	2.1286	1.0915	1.8590		3.4951	2.7246	3.6927	4.1499	4.1499	2.3711	3.4941	3.4941
C5	1.5097	2.4885	2.7246	3.4951		2.5779	1.0961	1.1008	1.1008	3.5092	2.8572	2.8572
C6	1.5097	2.4885	3.4951	2.7246	2.5779		3.5092	2.8572	2.8572	1.0961	1.1008	1.1008
H7	2.1585	2.6019	2.3711	3.6927	1.0961	3.5092		1.7854	1.7854	4.3108	3.8487	3.8487
H8	2.1613	3.2157	3.4941	4.1499	1.1008	2.8572	1.7854		1.7674	3.8487	3.2242	2.6966
H9	2.1613	3.2157	3.4941	4.1499	1.1008	2.8572	1.7854	1.7674		3.8487	2.6966	3.2242
H10	2.1585	2.6019	3.6927	2.3711	3.5092	1.0961	4.3108	3.8487	3.8487		1.7854	1.7854
H11	2.1613	3.2157	4.1499	3.4941	2.8572	1.1008	3.8487	3.2242	2.6966	1.7854		1.7674
H12	2.1613	3.2157	4.1499	3.4941	2.8572	1.1008	3.8487	2.6966	3.2242	1.7854	1.7674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.613	C1	C2	H4	121.613
C1	C5	H7	110.861	C1	C5	H8	110.804
C1	C5	H9	110.804	C1	C6	H10	110.861
C1	C6	H11	110.804	C1	C6	H12	110.804
C2	C1	C5	121.373	C2	C1	C6	121.373
H3	C2	H4	116.774	C5	C1	C6	117.254
H7	C5	H8	108.726	H7	C5	H9	108.726
H8	C5	H9	106.796	H10	C6	H11	108.726
H10	C6	H12	108.726	H11	C6	H12	106.796

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

using model chemistry: PBEPBE/Def2TZVPP

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	-0.002
2	C	-0.202
3	H	0.074
4	H	0.074
5	C	-0.210
6	C	-0.210
7	H	0.077
8	H	0.081
9	H	0.081
10	H	0.077
11	H	0.081
12	H	0.081

<r²>	91.352
(<r²>)^1/2	9.558

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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