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	hartrees
Energy at 0K	-117.508372
Energy at 298.15K
HF Energy	-117.069836
Nuclear repulsion energy	70.340896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3237	3105
2	A'	3157	3028
3	A'	3147	3018
4	A'	3125	2998
5	A'	3040	2916
6	A'	1718	1648
7	A'	1539	1476
8	A'	1483	1423
9	A'	1448	1389
10	A'	1340	1285
11	A'	1212	1163
12	A'	963	924
13	A'	942	903
14	A'	426	408
15	A"	3103	2976
16	A"	1524	1462
17	A"	1088	1044
18	A"	1009	968
19	A"	904	867
20	A"	580	556
21	A"	193	185

Atom	x (Å)	y (Å)	z (Å)
C1	-1.146	-0.495	0.000
C2	0.000	0.482	0.000
C3	1.298	0.135	0.000
H4	1.611	-0.911	0.000
H5	2.092	0.881	0.000
H6	-0.267	1.542	0.000
H7	-0.780	-1.530	0.000
H8	-1.784	-0.355	0.885
H9	-1.784	-0.355	-0.885

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5059	2.5244	2.7882	3.5184	2.2192	1.0979	1.0998	1.0998
C2	1.5059		1.3439	2.1292	2.1297	1.0939	2.1580	2.1604	2.1604
C3	2.5244	1.3439		1.0912	1.0894	2.1050	2.6635	3.2444	3.2444
H4	2.7882	2.1292	1.0912		1.8552	3.0892	2.4704	3.5523	3.5523
H5	3.5184	2.1297	1.0894	1.8552		2.4496	3.7504	4.1638	4.1638
H6	2.2192	1.0939	2.1050	3.0892	2.4496		3.1154	2.5859	2.5859
H7	1.0979	2.1580	2.6635	2.4704	3.7504	3.1154		1.7808	1.7808
H8	1.0998	2.1604	3.2444	3.5523	4.1638	2.5859	1.7808		1.7694
H9	1.0998	2.1604	3.2444	3.5523	4.1638	2.5859	1.7808	1.7694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.609	C1	C2	H6	116.317
C2	C1	H7	110.980	C2	C1	H8	111.053
C2	C1	H9	111.053	C2	C3	H4	121.599
C2	C3	H5	121.800	C3	C2	H6	119.074
H4	C3	H5	116.601	H7	C1	H8	108.250
H7	C1	H9	108.250	H8	C1	H9	107.106

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: QCISD(T)/6-31G*

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)/6-31G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)