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	hartrees
Energy at 0K	-117.623172
Energy at 298.15K
HF Energy	-117.087620
Nuclear repulsion energy	70.945714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3317	3317	11.69
2	A'	3237	3237	9.57
3	A'	3224	3224	11.99
4	A'	3206	3206	6.99
5	A'	3114	3114	15.38
6	A'	1756	1756	7.25
7	A'	1544	1544	10.63
8	A'	1489	1489	1.32
9	A'	1446	1446	1.32
10	A'	1353	1353	0.37
11	A'	1220	1220	0.24
12	A'	965	965	4.47
13	A'	955	955	0.89
14	A'	426	426	0.90
15	A"	3183	3183	14.44
16	A"	1533	1533	5.71
17	A"	1097	1097	1.17
18	A"	1054	1054	10.32
19	A"	963	963	34.45
20	A"	601	601	9.31
21	A"	207	207	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	-1.134	-0.502	0.000
C2	0.000	0.477	0.000
C3	1.286	0.146	0.000
H4	1.604	-0.888	0.000
H5	2.064	0.894	0.000
H6	-0.274	1.525	0.000
H7	-0.769	-1.527	0.000
H8	-1.768	-0.365	0.876
H9	-1.768	-0.365	-0.876

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4979	2.5051	2.7648	3.4897	2.2021	1.0882	1.0903	1.0903
C2	1.4979		1.3279	2.1059	2.1061	1.0838	2.1463	2.1455	2.1455
C3	2.5051	1.3279		1.0816	1.0798	2.0826	2.6497	3.2183	3.2183
H4	2.7648	2.1059	1.0816		1.8407	3.0580	2.4572	3.5231	3.5231
H5	3.4897	2.1061	1.0798	1.8407		2.4223	3.7268	4.1283	4.1283
H6	2.2021	1.0838	2.0826	3.0580	2.4223		3.0923	2.5639	2.5639
H7	1.0882	2.1463	2.6497	2.4572	3.7268	3.0923		1.7655	1.7655
H8	1.0903	2.1455	3.2183	3.5231	4.1283	2.5639	1.7655		1.7520
H9	1.0903	2.1455	3.2183	3.5231	4.1283	2.5639	1.7655	1.7520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.763	C1	C2	H6	116.147
C2	C1	H7	111.199	C2	C1	H8	111.005
C2	C1	H9	111.005	C2	C3	H4	121.524
C2	C3	H5	121.695	C3	C2	H6	119.090
H4	C3	H5	116.781	H7	C1	H8	108.272
H7	C1	H9	108.272	H8	C1	H9	106.929

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP3=FULL/6-31G(2df,p)

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 CH2CHCH3 (Propene)

using model chemistry: MP3=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)