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	hartrees
Energy at 0K	-117.706115
Energy at 298.15K
HF Energy	-117.116795
Nuclear repulsion energy	71.184055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3278	3057	15.83
2	A'	3217	3000	4.36
3	A'	3202	2986	16.16
4	A'	3160	2947	13.12
5	A'	3089	2881	19.37
6	A'	1757	1638	10.32
7	A'	1529	1426	13.52
8	A'	1485	1385	0.92
9	A'	1433	1337	1.95
10	A'	1351	1260	0.14
11	A'	1216	1134	0.19
12	A'	961	897	3.52
13	A'	952	888	1.85
14	A'	428	399	0.92
15	A"	3138	2926	16.86
16	A"	1515	1412	6.46
17	A"	1098	1024	4.35
18	A"	1051	980	12.15
19	A"	976	911	41.92
20	A"	609	568	10.80
21	A"	211	197	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	-1.131	-0.498	0.000
C2	0.000	0.476	0.000
C3	1.283	0.142	0.000
H4	1.589	-0.890	0.000
H5	2.057	0.888	0.000
H6	-0.266	1.521	0.000
H7	-0.764	-1.519	0.000
H8	-1.763	-0.362	0.874
H9	-1.763	-0.362	-0.874

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4931	2.4972	2.7478	3.4765	2.1966	1.0847	1.0867	1.0867
C2	1.4931		1.3254	2.0957	2.0978	1.0775	2.1366	2.1383	2.1383
C3	2.4972	1.3254		1.0771	1.0753	2.0729	2.6358	3.2078	3.2078
H4	2.7478	2.0957	1.0771		1.8392	3.0416	2.4350	3.5033	3.5033
H5	3.4765	2.0978	1.0753	1.8392		2.4072	3.7083	4.1127	4.1127
H6	2.1966	1.0775	2.0729	3.0416	2.4072		3.0802	2.5588	2.5588
H7	1.0847	2.1366	2.6358	2.4350	3.7083	3.0802		1.7608	1.7608
H8	1.0867	2.1383	3.2078	3.5033	4.1127	2.5588	1.7608		1.7477
H9	1.0867	2.1383	3.2078	3.5033	4.1127	2.5588	1.7608	1.7477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.644	C1	C2	H6	116.481
C2	C1	H7	110.964	C2	C1	H8	110.984
C2	C1	H9	110.984	C2	C3	H4	121.113
C2	C3	H5	121.469	C3	C2	H6	118.875
H4	C3	H5	117.418	H7	C1	H8	108.361
H7	C1	H9	108.361	H8	C1	H9	107.048

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP3=FULL/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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All results from a given calculation for CH2CHCH3 (Propene)

using model chemistry: MP3=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)