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	hartrees
Energy at 0K	-117.344563
Energy at 298.15K	-117.350072
HF Energy	-117.034867
Nuclear repulsion energy	69.169299

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3178	3031
2	A'	3090	2947
3	A'	3071	2929
4	A'	3048	2907
5	A'	2953	2816
6	A'	1646	1570
7	A'	1516	1446
8	A'	1462	1394
9	A'	1439	1373
10	A'	1315	1254
11	A'	1195	1140
12	A'	952	908
13	A'	903	861
14	A'	413	393
15	A"	3026	2886
16	A"	1496	1427
17	A"	1080	1030
18	A"	976	930
19	A"	841	802
20	A"	561	535
21	A"	188	179

Atom	x (Å)	y (Å)	z (Å)
C1	-1.172	-0.505	0.000
C2	0.000	0.490	0.000
C3	1.326	0.137	0.000
H4	1.643	-0.916	0.000
H5	2.124	0.893	0.000
H6	-0.268	1.561	0.000
H7	-0.801	-1.551	0.000
H8	-1.812	-0.360	0.896
H9	-1.812	-0.360	-0.896

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5374	2.5797	2.8446	3.5801	2.2550	1.1092	1.1109	1.1109
C2	1.5374		1.3725	2.1623	2.1617	1.1036	2.1921	2.1930	2.1930
C3	2.5797	1.3725		1.1001	1.0987	2.1369	2.7160	3.3018	3.3018
H4	2.8446	2.1623	1.1001		1.8725	3.1279	2.5250	3.6124	3.6124
H5	3.5801	2.1617	1.0987	1.8725		2.4825	3.8116	4.2267	4.2267
H6	2.2550	1.1036	2.1369	3.1279	2.4825		3.1566	2.6225	2.6225
H7	1.1092	2.1921	2.7160	2.5250	3.8116	3.1566		1.8008	1.8008
H8	1.1109	2.1930	3.3018	3.6124	4.2267	2.6225	1.8008		1.7923
H9	1.1109	2.1930	3.3018	3.6124	4.2267	2.6225	1.8008	1.7923

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.787	C1	C2	H6	116.303
C2	C1	H7	110.808	C2	C1	H8	110.778
C2	C1	H9	110.778	C2	C3	H4	121.593
C2	C3	H5	121.636	C3	C2	H6	118.910
H4	C3	H5	116.770	H7	C1	H8	108.411
H7	C1	H9	108.411	H8	C1	H9	107.545

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: QCISD(T)/SDD

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)/SDD

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)