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	hartrees
Energy at 0K	-117.660780
Energy at 298.15K	-117.666327
HF Energy	-117.112435
Nuclear repulsion energy	70.646322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3252	3142
2	A'	3166	3059
3	A'	3156	3049
4	A'	3130	3024
5	A'	3041	2939
6	A'	1692	1635
7	A'	1514	1463
8	A'	1468	1419
9	A'	1429	1381
10	A'	1329	1284
11	A'	1199	1158
12	A'	952	920
13	A'	929	898
14	A'	423	409
15	A"	3108	3003
16	A"	1483	1433
17	A"	1071	1035
18	A"	994	961
19	A"	825	797
20	A"	554	535
21	A"	190	184

Atom	x (Å)	y (Å)	z (Å)
C1	-1.141	-0.496	0.000
C2	0.000	0.481	0.000
C3	1.293	0.136	0.000
H4	1.600	-0.905	0.000
H5	2.078	0.882	0.000
H6	-0.265	1.536	0.000
H7	-0.775	-1.525	0.000
H8	-1.774	-0.357	0.881
H9	-1.774	-0.357	-0.881

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5022	2.5144	2.7710	3.5015	2.2129	1.0923	1.0940	1.0940
C2	1.5022		1.3381	2.1167	2.1164	1.0877	2.1508	2.1511	2.1511
C3	2.5144	1.3381		1.0852	1.0830	2.0946	2.6522	3.2290	3.2290
H4	2.7710	2.1167	1.0852		1.8496	3.0718	2.4543	3.5301	3.5301
H5	3.5015	2.1164	1.0830	1.8496		2.4329	3.7326	4.1416	4.1416
H6	2.2129	1.0877	2.0946	3.0718	2.4329		3.1035	2.5764	2.5764
H7	1.0923	2.1508	2.6522	2.4543	3.7326	3.1035		1.7720	1.7720
H8	1.0940	2.1511	3.2290	3.5301	4.1416	2.5764	1.7720		1.7619
H9	1.0940	2.1511	3.2290	3.5301	4.1416	2.5764	1.7720	1.7619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.467	C1	C2	H6	116.476
C2	C1	H7	110.999	C2	C1	H8	110.921
C2	C1	H9	110.921	C2	C3	H4	121.385
C2	C3	H5	121.529	C3	C2	H6	119.056
H4	C3	H5	117.086	H7	C1	H8	108.296
H7	C1	H9	108.296	H8	C1	H9	107.271

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP4=FULL/TZVP

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/TZVP

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)