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	hartrees
Energy at 0K	-116.741381
Energy at 298.15K	-116.746986
HF Energy	-116.421537
Nuclear repulsion energy	69.990743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3199	3199
2	A'	3125	3125
3	A'	3113	3113
4	A'	3089	3089
5	A'	3019	3019
6	A'	1679	1679
7	A'	1577	1577
8	A'	1507	1507
9	A'	1473	1473
10	A'	1363	1363
11	A'	1216	1216
12	A'	995	995
13	A'	892	892
14	A'	436	436
15	A"	3075	3075
16	A"	1564	1564
17	A"	1116	1116
18	A"	1025	1025
19	A"	936	936
20	A"	584	584
21	A"	185	185

Atom	x (Å)	y (Å)	z (Å)
C1	-1.152	-0.513	0.000
C2	0.000	0.489	0.000
C3	1.303	0.150	0.000
H4	1.622	-0.894	0.000
H5	2.096	0.897	0.000
H6	-0.285	1.545	0.000
H7	-0.764	-1.542	0.000
H8	-1.786	-0.379	0.890
H9	-1.786	-0.379	-0.890

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5273	2.5428	2.8005	3.5407	2.2334	1.0997	1.1007	1.1007
C2	1.5273		1.3463	2.1322	2.1349	1.0933	2.1703	2.1763	2.1763
C3	2.5428	1.3463		1.0916	1.0897	2.1136	2.6706	3.2576	3.2576
H4	2.8005	2.1322	1.0916		1.8527	3.0962	2.4726	3.5602	3.5602
H5	3.5407	2.1349	1.0897	1.8527		2.4671	3.7584	4.1819	4.1819
H6	2.2334	1.0933	2.1136	3.0962	2.4671		3.1240	2.5975	2.5975
H7	1.0997	2.1703	2.6706	2.4726	3.7584	3.1240		1.7860	1.7860
H8	1.1007	2.1763	3.2576	3.5602	4.1819	2.5975	1.7860		1.7794
H9	1.1007	2.1763	3.2576	3.5602	4.1819	2.5975	1.7860	1.7794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.351	C1	C2	H6	115.926
C2	C1	H7	110.350	C2	C1	H8	110.761
C2	C1	H9	110.761	C2	C3	H4	121.649
C2	C3	H5	122.070	C3	C2	H6	119.723
H4	C3	H5	116.281	H7	C1	H8	108.513
H7	C1	H9	108.513	H8	C1	H9	107.858

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP4=FULL/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)