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	hartrees
Energy at 0K	-117.385753
Energy at 298.15K	-117.391263
HF Energy	-117.034936
Nuclear repulsion energy	69.183135

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3179	3179
2	A'	3091	3091
3	A'	3072	3072
4	A'	3049	3049
5	A'	2954	2954
6	A'	1647	1647
7	A'	1516	1516
8	A'	1462	1462
9	A'	1439	1439
10	A'	1315	1315
11	A'	1195	1195
12	A'	952	952
13	A'	903	903
14	A'	413	413
15	A"	3027	3027
16	A"	1496	1496
17	A"	1080	1080
18	A"	976	976
19	A"	842	842
20	A"	561	561
21	A"	188	188

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	2.123	0.893	0.000
H6	-0.267	1.560	0.000
H7	-0.801	-1.550	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		1.5369	2.5792	2.8442	3.5795	2.2545	1.1091	1.1108	1.1108
C2	1.5369		1.3722	2.1620	2.1613	1.1035	2.1917	2.1925	2.1925
C3	2.5792	1.3722		1.0999	1.0986	2.1364	2.7157	3.3011	3.3011
H4	2.8442	2.1620	1.0999		1.8722	3.1273	2.5249	3.6119	3.6119
H5	3.5795	2.1613	1.0986	1.8722		2.4819	3.8112	4.2260	4.2260
H6	2.2545	1.1035	2.1364	3.1273	2.4819		3.1561	2.6219	2.6219
H7	1.1091	2.1917	2.7157	2.5249	3.8112	3.1561		1.8005	1.8005
H8	1.1108	2.1925	3.3011	3.6119	4.2260	2.6219	1.8005		1.7920
H9	1.1108	2.1925	3.3011	3.6119	4.2260	2.6219	1.8005	1.7920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.800	C1	C2	H6	116.302
C2	C1	H7	110.817	C2	C1	H8	110.778
C2	C1	H9	110.778	C2	C3	H4	121.593
C2	C3	H5	121.641	C3	C2	H6	118.897
H4	C3	H5	116.766	H7	C1	H8	108.407
H7	C1	H9	108.407	H8	C1	H9	107.543

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/SDD

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)