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	hartrees
Energy at 0K	-156.897948
Energy at 298.15K	-156.905844
HF Energy	-156.168511
Nuclear repulsion energy	119.821610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3162	3021	7.36
2	A₁	3138	2998	21.44
3	A₁	3043	2908	32.33
4	A₁	1743	1665	15.32
5	A₁	1521	1454	11.99
6	A₁	1465	1400	0.27
7	A₁	1428	1364	0.05
8	A₁	1095	1046	2.54
9	A₁	828	791	0.14
10	A₁	374	358	0.19
11	A₂	3094	2957	0.00
12	A₂	1493	1426	0.00
13	A₂	1032	986	0.00
14	A₂	715	683	0.00
15	A₂	163	155	0.00
16	B₁	3097	2959	42.30
17	B₁	1509	1442	14.44
18	B₁	1119	1069	0.16
19	B₁	930	889	42.73
20	B₁	435	416	6.48
21	B₁	209	199	0.33
22	B₂	3245	3100	16.25
23	B₂	3136	2996	22.22
24	B₂	3039	2904	18.60
25	B₂	1505	1438	3.26
26	B₂	1434	1370	8.80
27	B₂	1321	1263	1.78
28	B₂	999	955	0.22
29	B₂	975	932	0.04
30	B₂	434	414	1.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.112
C2	0.000	0.000	1.448
H3	0.000	0.922	2.014
H4	0.000	-0.922	2.014
C5	0.000	1.288	-0.674
C6	0.000	-1.288	-0.674
H7	0.000	2.148	-0.009
H8	0.878	1.346	-1.321
H9	-0.878	1.346	-1.321
H10	0.000	-2.148	-0.009
H11	-0.878	-1.346	-1.321
H12	0.878	-1.346	-1.321

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3366	2.1143	2.1143	1.5087	1.5087	2.1518	2.1527	2.1527	2.1518	2.1527	2.1527
C2	1.3366		1.0822	1.0822	2.4826	2.4826	2.5959	3.2016	3.2016	2.5959	3.2016	3.2016
H3	2.1143	1.0822		1.8449	2.7131	3.4803	2.3653	3.4746	3.4746	3.6772	4.1277	4.1277
H4	2.1143	1.0822	1.8449		3.4803	2.7131	3.6772	4.1277	4.1277	2.3653	3.4746	3.4746
C5	1.5087	2.4826	2.7131	3.4803		2.5757	1.0879	1.0920	1.0920	3.5001	2.8503	2.8503
C6	1.5087	2.4826	3.4803	2.7131	2.5757		3.5001	2.8503	2.8503	1.0879	1.0920	1.0920
H7	2.1518	2.5959	2.3653	3.6772	1.0879	3.5001		1.7712	1.7712	4.2968	3.8343	3.8343
H8	2.1527	3.2016	3.4746	4.1277	1.0920	2.8503	1.7712		1.7560	3.8343	3.2136	2.6913
H9	2.1527	3.2016	3.4746	4.1277	1.0920	2.8503	1.7712	1.7560		3.8343	2.6913	3.2136
H10	2.1518	2.5959	3.6772	2.3653	3.5001	1.0879	4.2968	3.8343	3.8343		1.7712	1.7712
H11	2.1527	3.2016	4.1277	3.4746	2.8503	1.0920	3.8343	3.2136	2.6913	1.7712		1.7560
H12	2.1527	3.2016	4.1277	3.4746	2.8503	1.0920	3.8343	2.6913	3.2136	1.7712	1.7560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.526	C1	C2	H4	121.526
C1	C5	H7	110.891	C1	C5	H8	110.714
C1	C5	H9	110.714	C1	C6	H10	110.891
C1	C6	H11	110.714	C1	C6	H12	110.714
C2	C1	C5	121.393	C2	C1	C6	121.393
H3	C2	H4	116.949	C5	C1	C6	117.213
H7	C5	H8	108.686	H7	C5	H9	108.686
H8	C5	H9	107.035	H10	C6	H11	108.686
H10	C6	H12	108.686	H11	C6	H12	107.035

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

using model chemistry: QCISD/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: QCISD/cc-pVTZ

States and conformations

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