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	hartrees
Energy at 0K	-117.555801
Energy at 298.15K
HF Energy	-117.080441
Nuclear repulsion energy	69.964956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3253	3146
2	A'	3164	3059
3	A'	3151	3047
4	A'	3138	3034
5	A'	3042	2941
6	A'	1698	1642
7	A'	1485	1436
8	A'	1445	1397
9	A'	1397	1351
10	A'	1308	1265
11	A'	1185	1146
12	A'	937	906
13	A'	933	902
14	A'	416	402
15	A"	3117	3014
16	A"	1472	1423
17	A"	1057	1022
18	A"	1008	975
19	A"	907	877
20	A"	575	556
21	A"	202	195

Atom	x (Å)	y (Å)	z (Å)
C1	-1.152	-0.494	0.000
C2	0.000	0.483	0.000
C3	1.305	0.131	0.000
H4	1.611	-0.924	0.000
H5	2.102	0.886	0.000
H6	-0.261	1.554	0.000
H7	-0.787	-1.538	0.000
H8	-1.794	-0.350	0.890
H9	-1.794	-0.350	-0.890

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5108	2.5356	2.7962	3.5344	2.2333	1.1055	1.1073	1.1073
C2	1.5108		1.3521	2.1398	2.1402	1.1018	2.1693	2.1694	2.1694
C3	2.5356	1.3521		1.0992	1.0972	2.1163	2.6768	3.2606	3.2606
H4	2.7962	2.1398	1.0992		1.8757	3.1063	2.4755	3.5664	3.5664
H5	3.5344	2.1402	1.0972	1.8757		2.4560	3.7712	4.1833	4.1833
H6	2.2333	1.1018	2.1163	3.1063	2.4560		3.1362	2.6013	2.6013
H7	1.1055	2.1693	2.6768	2.4755	3.7712	3.1362		1.7939	1.7939
H8	1.1073	2.1694	3.2606	3.5664	4.1833	2.6013	1.7939		1.7805
H9	1.1073	2.1694	3.2606	3.5664	4.1833	2.6013	1.7939	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.571	C1	C2	H6	116.610
C2	C1	H7	111.072	C2	C1	H8	110.975
C2	C1	H9	110.975	C2	C3	H4	121.250
C2	C3	H5	121.454	C3	C2	H6	118.819
H4	C3	H5	117.295	H7	C1	H8	108.324
H7	C1	H9	108.324	H8	C1	H9	107.025

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP4/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)