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	hartrees
Energy at 0K	-117.682468
Energy at 298.15K
HF Energy	-117.115988
Nuclear repulsion energy	70.665817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3230	3148
2	A'	3151	3071
3	A'	3138	3058
4	A'	3112	3034
5	A'	3029	2952
6	A'	1697	1654
7	A'	1502	1464
8	A'	1455	1419
9	A'	1408	1372
10	A'	1321	1287
11	A'	1192	1162
12	A'	943	919
13	A'	931	907
14	A'	418	408
15	A"	3089	3011
16	A"	1488	1451
17	A"	1068	1041
18	A"	1015	989
19	A"	926	902
20	A"	584	569
21	A"	203	198

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		1.5022	2.5143	2.7664	3.5006	2.2146	1.0916	1.0934	1.0934
C2	1.5022		1.3380	2.1138	2.1153	1.0868	2.1498	2.1509	2.1509
C3	2.5143	1.3380		1.0848	1.0828	2.0914	2.6514	3.2293	3.2293
H4	2.7664	2.1138	1.0848		1.8524	3.0672	2.4489	3.5263	3.5263
H5	3.5006	2.1153	1.0828	1.8524		2.4272	3.7315	4.1409	4.1409
H6	2.2146	1.0868	2.0914	3.0672	2.4272		3.1033	2.5785	2.5785
H7	1.0916	2.1498	2.6514	2.4489	3.7315	3.1033		1.7718	1.7718
H8	1.0934	2.1509	3.2293	3.5263	4.1409	2.5785	1.7718		1.7588
H9	1.0934	2.1509	3.2293	3.5263	4.1409	2.5785	1.7718	1.7588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.467	C1	C2	H6	116.697
C2	C1	H7	110.974	C2	C1	H8	110.949
C2	C1	H9	110.949	C2	C3	H4	121.131
C2	C3	H5	121.446	C3	C2	H6	118.837
H4	C3	H5	117.424	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: CCSD(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: CCSD(T)/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)