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	hartrees
Energy at 0K	-117.336221
Energy at 298.15K	-117.341787
HF Energy	-117.036399
Nuclear repulsion energy	69.465622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3250	3064	36.82
2	A'	3157	2976	22.70
3	A'	3134	2955	32.59
4	A'	3120	2942	13.66
5	A'	3014	2841	30.50
6	A'	1665	1569	7.44
7	A'	1542	1453	15.34
8	A'	1485	1400	2.81
9	A'	1459	1376	5.19
10	A'	1339	1263	0.00
11	A'	1214	1144	1.42
12	A'	965	910	4.64
13	A'	920	868	1.45
14	A'	420	396	0.55
15	A"	3103	2925	35.93
16	A"	1521	1434	10.25
17	A"	1100	1037	1.44
18	A"	1018	959	30.72
19	A"	871	821	58.39
20	A"	578	545	14.49
21	A"	191	180	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	-1.167	-0.502	0.000
C2	0.000	0.489	0.000
C3	1.321	0.136	0.000
H4	1.632	-0.914	0.000
H5	2.114	0.888	0.000
H6	-0.263	1.556	0.000
H7	-0.798	-1.543	0.000
H8	-1.805	-0.360	0.892
H9	-1.805	-0.360	-0.892

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5309	2.5685	2.8295	3.5640	2.2476	1.1042	1.1056	1.1056
C2	1.5309		1.3673	2.1522	2.1519	1.0989	2.1822	2.1847	2.1847
C3	2.5685	1.3673		1.0950	1.0938	2.1273	2.7027	3.2881	3.2881
H4	2.8295	2.1522	1.0950		1.8660	3.1131	2.5097	3.5939	3.5939
H5	3.5640	2.1519	1.0938	1.8660		2.4693	3.7934	4.2089	4.2089
H6	2.2476	1.0989	2.1273	3.1131	2.4693		3.1441	2.6157	2.6157
H7	1.1042	2.1822	2.7027	2.5097	3.7934	3.1441		1.7914	1.7914
H8	1.1056	2.1847	3.2881	3.5939	4.2089	2.6157	1.7914		1.7837
H9	1.1056	2.1847	3.2881	3.5939	4.2089	2.6157	1.7914	1.7837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.709	C1	C2	H6	116.485
C2	C1	H7	110.777	C2	C1	H8	110.884
C2	C1	H9	110.884	C2	C3	H4	121.478
C2	C3	H5	121.547	C3	C2	H6	118.806
H4	C3	H5	116.975	H7	C1	H8	108.320
H7	C1	H9	108.320	H8	C1	H9	107.538

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP2=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: MP2=FULL/SDD

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)