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	hartrees
Energy at 0K	-117.553800
Energy at 298.15K
HF Energy	-117.091844
Nuclear repulsion energy	70.295534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3209	3089
2	A'	3127	3011
3	A'	3117	3001
4	A'	3097	2982
5	A'	3014	2901
6	A'	1694	1631
7	A'	1518	1461
8	A'	1462	1408
9	A'	1429	1376
10	A'	1323	1274
11	A'	1199	1154
12	A'	952	917
13	A'	931	896
14	A'	423	407
15	A"	3075	2960
16	A"	1502	1446
17	A"	1072	1032
18	A"	993	956
19	A"	880	847
20	A"	571	550
21	A"	186	179

Atom	x (Å)	y (Å)	z (Å)
C1	-1.147	-0.498	0.000
C2	0.000	0.482	0.000
C3	1.300	0.137	0.000
H4	1.613	-0.908	0.000
H5	2.089	0.887	0.000
H6	-0.266	1.543	0.000
H7	-0.783	-1.533	0.000
H8	-1.785	-0.357	0.884
H9	-1.785	-0.357	-0.884

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5082	2.5279	2.7909	3.5203	2.2226	1.0972	1.0992	1.0992
C2	1.5082		1.3448	2.1295	2.1284	1.0941	2.1613	2.1610	2.1610
C3	2.5279	1.3448		1.0911	1.0891	2.1044	2.6697	3.2467	3.2467
H4	2.7909	2.1295	1.0911		1.8574	3.0887	2.4768	3.5545	3.5545
H5	3.5203	2.1284	1.0891	1.8574		2.4449	3.7561	4.1639	4.1639
H6	2.2226	1.0941	2.1044	3.0887	2.4449		3.1188	2.5877	2.5877
H7	1.0972	2.1613	2.6697	2.4768	3.7561	3.1188		1.7799	1.7799
H8	1.0992	2.1610	3.2467	3.5545	4.1639	2.5877	1.7799		1.7680
H9	1.0992	2.1610	3.2467	3.5545	4.1639	2.5877	1.7799	1.7680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.663	C1	C2	H6	116.415
C2	C1	H7	111.121	C2	C1	H8	110.978
C2	C1	H9	110.978	C2	C3	H4	121.554
C2	C3	H5	121.606	C3	C2	H6	118.923
H4	C3	H5	116.840	H7	C1	H8	108.270
H7	C1	H9	108.270	H8	C1	H9	107.072

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: QCISD(T)/6-311G*

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)/6-311G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)