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	hartrees
Energy at 0K	-157.202136
Energy at 298.15K	-157.210031
Nuclear repulsion energy	119.643568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3163	3031	8.65
2	A₁	3153	3022	19.23
3	A₁	3042	2915	38.51
4	A₁	1740	1667	25.26
5	A₁	1481	1420	15.17
6	A₁	1430	1370	1.65
7	A₁	1391	1333	0.61
8	A₁	1075	1031	3.65
9	A₁	837	802	0.18
10	A₁	381	365	0.39
11	A₂	3100	2971	0.00
12	A₂	1446	1386	0.00
13	A₂	1004	962	0.00
14	A₂	697	668	0.00
15	A₂	166	160	0.00
16	B₁	3102	2973	37.33
17	B₁	1467	1406	17.32
18	B₁	1088	1043	0.02
19	B₁	924	885	47.31
20	B₁	445	427	9.03
21	B₁	214	205	0.59
22	B₂	3255	3120	17.28
23	B₂	3152	3021	23.07
24	B₂	3038	2911	19.93
25	B₂	1459	1399	4.05
26	B₂	1401	1342	13.87
27	B₂	1303	1249	0.89
28	B₂	987	946	0.24
29	B₂	956	916	0.04
30	B₂	438	420	1.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.120
C2	0.000	0.000	1.458
H3	0.000	0.929	2.027
H4	0.000	-0.929	2.027
C5	0.000	1.271	-0.677
C6	0.000	-1.271	-0.677
H7	0.000	2.156	-0.032
H8	0.882	1.320	-1.334
H9	-0.882	1.320	-1.334
H10	0.000	-2.156	-0.032
H11	-0.882	-1.320	-1.334
H12	0.882	-1.320	-1.334

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3376	2.1213	2.1213	1.5008	1.5008	2.1619	2.1525	2.1525	2.1619	2.1525	2.1525
C2	1.3376		1.0898	1.0898	2.4850	2.4850	2.6211	3.2113	3.2113	2.6211	3.2113	3.2113
H3	2.1213	1.0898		1.8584	2.7261	3.4866	2.3972	3.4966	3.4966	3.7097	4.1390	4.1390
H4	2.1213	1.0898	1.8584		3.4866	2.7261	3.7097	4.1390	4.1390	2.3972	3.4966	3.4966
C5	1.5008	2.4850	2.7261	3.4866		2.5425	1.0955	1.1002	1.1002	3.4880	2.8145	2.8145
C6	1.5008	2.4850	3.4866	2.7261	2.5425		3.4880	2.8145	2.8145	1.0955	1.1002	1.1002
H7	2.1619	2.6211	2.3972	3.7097	1.0955	3.4880		1.7810	1.7810	4.3130	3.8153	3.8153
H8	2.1525	3.2113	3.4966	4.1390	1.1002	2.8145	1.7810		1.7632	3.8153	3.1743	2.6395
H9	2.1525	3.2113	3.4966	4.1390	1.1002	2.8145	1.7810	1.7632		3.8153	2.6395	3.1743
H10	2.1619	2.6211	3.7097	2.3972	3.4880	1.0955	4.3130	3.8153	3.8153		1.7810	1.7810
H11	2.1525	3.2113	4.1390	3.4966	2.8145	1.1002	3.8153	3.1743	2.6395	1.7810		1.7632
H12	2.1525	3.2113	4.1390	3.4966	2.8145	1.1002	3.8153	2.6395	3.1743	1.7810	1.7632

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.498	C1	C2	H4	121.498
C1	C5	H7	111.805	C1	C5	H8	110.759
C1	C5	H9	110.759	C1	C6	H10	111.805
C1	C6	H11	110.759	C1	C6	H12	110.759
C2	C1	C5	122.104	C2	C1	C6	122.104
H3	C2	H4	117.004	C5	C1	C6	115.793
H7	C5	H8	108.413	H7	C5	H9	108.413
H8	C5	H9	106.503	H10	C6	H11	108.413
H10	C6	H12	108.413	H11	C6	H12	106.503

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

using model chemistry: mPW1PW91/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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Number	Element	Mulliken
1	C	0.204
2	C	0.865
3	H	-0.520
4	H	-0.520
5	C	0.240
6	C	0.240
7	H	-0.228
8	H	-0.013
9	H	-0.013
10	H	-0.228
11	H	-0.013
12	H	-0.013

<r²>	90.894
(<r²>)^1/2	9.534

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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