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	hartrees
Energy at 0K	-117.380737
Energy at 298.15K	-117.386266
HF Energy	-117.035394
Nuclear repulsion energy	69.268115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3198	3198
2	A'	3108	3108
3	A'	3088	3088
4	A'	3066	3066
5	A'	2968	2968
6	A'	1655	1655
7	A'	1522	1522
8	A'	1469	1469
9	A'	1445	1445
10	A'	1322	1322
11	A'	1200	1200
12	A'	955	955
13	A'	908	908
14	A'	414	414
15	A"	3046	3046
16	A"	1501	1501
17	A"	1086	1086
18	A"	990	990
19	A"	847	847
20	A"	567	567
21	A"	191	191

Atom	x (Å)	y (Å)	z (Å)
C1	-1.170	-0.505	0.000
C2	0.000	0.489	0.000
C3	1.324	0.138	0.000
H4	1.641	-0.914	0.000
H5	2.120	0.894	0.000
H6	-0.267	1.558	0.000
H7	-0.799	-1.549	0.000
H8	-1.810	-0.360	0.895
H9	-1.810	-0.360	-0.895

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5351	2.5759	2.8403	3.5751	2.2522	1.1081	1.1096	1.1096
C2	1.5351		1.3700	2.1587	2.1584	1.1025	2.1892	2.1904	2.1904
C3	2.5759	1.3700		1.0987	1.0973	2.1333	2.7123	3.2973	3.2973
H4	2.8403	2.1587	1.0987		1.8702	3.1231	2.5212	3.6074	3.6074
H5	3.5751	2.1584	1.0973	1.8702		2.4783	3.8066	4.2211	4.2211
H6	2.2522	1.1025	2.1333	3.1231	2.4783		3.1528	2.6196	2.6196
H7	1.1081	2.1892	2.7123	2.5212	3.8066	3.1528		1.7987	1.7987
H8	1.1096	2.1904	3.2973	3.6074	4.2211	2.6196	1.7987		1.7901
H9	1.1096	2.1904	3.2973	3.6074	4.2211	2.6196	1.7987	1.7901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.820	C1	C2	H6	116.312
C2	C1	H7	110.797	C2	C1	H8	110.798
C2	C1	H9	110.798	C2	C3	H4	121.567
C2	C3	H5	121.649	C3	C2	H6	118.869
H4	C3	H5	116.784	H7	C1	H8	108.402
H7	C1	H9	108.402	H8	C1	H9	107.534

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP4=FULL/SDD

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: MP4=FULL/SDD

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)