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	hartrees
Energy at 0K	-117.682776
Energy at 298.15K
HF Energy	-117.115968
Nuclear repulsion energy	70.658041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3229	3063
2	A'	3150	2988
3	A'	3136	2975
4	A'	3111	2951
5	A'	3028	2872
6	A'	1695	1608
7	A'	1502	1424
8	A'	1455	1380
9	A'	1407	1335
10	A'	1320	1252
11	A'	1191	1130
12	A'	942	894
13	A'	930	882
14	A'	418	397
15	A"	3088	2930
16	A"	1488	1412
17	A"	1068	1013
18	A"	1014	962
19	A"	925	877
20	A"	583	553
21	A"	203	193

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	1.595	-0.906	0.000
H5	2.077	0.883	0.000
H6	-0.261	1.536	0.000
H7	-0.774	-1.525	0.000
H8	-1.775	-0.357	0.879
H9	-1.775	-0.357	-0.879

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5023	2.5146	2.7667	3.5010	2.2148	1.0916	1.0935	1.0935
C2	1.5023		1.3382	2.1140	2.1155	1.0868	2.1500	2.1511	2.1511
C3	2.5146	1.3382		1.0849	1.0829	2.0916	2.6517	3.2297	3.2297
H4	2.7667	2.1140	1.0849		1.8526	3.0675	2.4491	3.5266	3.5266
H5	3.5010	2.1155	1.0829	1.8526		2.4275	3.7318	4.1414	4.1414
H6	2.2148	1.0868	2.0916	3.0675	2.4275		3.1036	2.5787	2.5787
H7	1.0916	2.1500	2.6517	2.4491	3.7318	3.1036		1.7720	1.7720
H8	1.0935	2.1511	3.2297	3.5266	4.1414	2.5787	1.7720		1.7590
H9	1.0935	2.1511	3.2297	3.5266	4.1414	2.5787	1.7720	1.7590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.466	C1	C2	H6	116.699
C2	C1	H7	110.973	C2	C1	H8	110.949
C2	C1	H9	110.949	C2	C3	H4	121.128
C2	C3	H5	121.444	C3	C2	H6	118.834
H4	C3	H5	117.427	H7	C1	H8	108.372
H7	C1	H9	108.372	H8	C1	H9	107.087

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: QCISD(T)/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: QCISD(T)/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)