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	hartrees
Energy at 0K	-156.170459
Energy at 298.15K	-156.178620
HF Energy	-156.170459
Nuclear repulsion energy	120.376368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3276	2964	10.24
2	A₁	3237	2929	26.22
3	A₁	3151	2851	54.69
4	A₁	1848	1672	32.55
5	A₁	1619	1465	14.06
6	A₁	1564	1415	0.70
7	A₁	1532	1386	0.49
8	A₁	1175	1063	1.88
9	A₁	856	775	0.03
10	A₁	404	365	0.43
11	A₂	3185	2882	0.00
12	A₂	1589	1438	0.00
13	A₂	1107	1001	0.00
14	A₂	766	693	0.00
15	A₂	183	166	0.00
16	B₁	3191	2886	61.18
17	B₁	1607	1454	14.66
18	B₁	1208	1093	0.27
19	B₁	1040	940	56.58
20	B₁	480	434	9.29
21	B₁	231	209	0.37
22	B₂	3351	3031	22.02
23	B₂	3235	2926	34.51
24	B₂	3145	2845	20.66
25	B₂	1600	1447	3.81
26	B₂	1538	1392	6.15
27	B₂	1397	1264	2.31
28	B₂	1061	960	0.26
29	B₂	1033	935	0.00
30	B₂	470	425	1.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.127
C2	0.000	0.000	1.446
H3	0.000	0.915	2.009
H4	0.000	-0.915	2.009
C5	0.000	1.272	-0.675
C6	0.000	-1.272	-0.675
H7	0.000	2.147	-0.040
H8	0.873	1.317	-1.320
H9	-0.873	1.317	-1.320
H10	0.000	-2.147	-0.040
H11	-0.873	-1.317	-1.320
H12	0.873	-1.317	-1.320

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3186	2.0923	2.0923	1.5044	1.5044	2.1537	2.1426	2.1426	2.1537	2.1426	2.1426
C2	1.3186		1.0743	1.0743	2.4736	2.4736	2.6111	3.1853	3.1853	2.6111	3.1853	3.1853
H3	2.0923	1.0743		1.8300	2.7080	3.4626	2.3908	3.4648	3.4648	3.6844	4.1019	4.1019
H4	2.0923	1.0743	1.8300		3.4626	2.7080	3.6844	4.1019	4.1019	2.3908	3.4648	3.4648
C5	1.5044	2.4736	2.7080	3.4626		2.5447	1.0814	1.0858	1.0858	3.4781	2.8075	2.8075
C6	1.5044	2.4736	3.4626	2.7080	2.5447		3.4781	2.8075	2.8075	1.0814	1.0858	1.0858
H7	2.1537	2.6111	2.3908	3.6844	1.0814	3.4781		1.7576	1.7576	4.2945	3.7950	3.7950
H8	2.1426	3.1853	3.4648	4.1019	1.0858	2.8075	1.7576		1.7450	3.7950	3.1598	2.6342
H9	2.1426	3.1853	3.4648	4.1019	1.0858	2.8075	1.7576	1.7450		3.7950	2.6342	3.1598
H10	2.1537	2.6111	3.6844	2.3908	3.4781	1.0814	4.2945	3.7950	3.7950		1.7576	1.7576
H11	2.1426	3.1853	4.1019	3.4648	2.8075	1.0858	3.7950	3.1598	2.6342	1.7576		1.7450
H12	2.1426	3.1853	4.1019	3.4648	2.8075	1.0858	3.7950	2.6342	3.1598	1.7576	1.7450

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.605	C1	C2	H4	121.605
C1	C5	H7	111.760	C1	C5	H8	110.588
C1	C5	H9	110.588	C1	C6	H10	111.760
C1	C6	H11	110.588	C1	C6	H12	110.588
C2	C1	C5	122.245	C2	C1	C6	122.245
H3	C2	H4	116.791	C5	C1	C6	115.511
H7	C5	H8	108.398	H7	C5	H9	108.398
H8	C5	H9	106.949	H10	C6	H11	108.398
H10	C6	H12	108.398	H11	C6	H12	106.949

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

using model chemistry: HF/daug-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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Number	Element	Mulliken
1	C	3.377
2	C	-3.330
3	H	0.467
4	H	0.467
5	C	-1.310
6	C	-1.310
7	H	0.395
8	H	0.212
9	H	0.212
10	H	0.395
11	H	0.212
12	H	0.212

<r²>	90.292
(<r²>)^1/2	9.502

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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