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	hartrees
Energy at 0K	-117.684491
Energy at 298.15K
HF Energy	-117.119432
Nuclear repulsion energy	70.663123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3232	3232
2	A'	3152	3152
3	A'	3139	3139
4	A'	3114	3114
5	A'	3031	3031
6	A'	1695	1695
7	A'	1501	1501
8	A'	1457	1457
9	A'	1410	1410
10	A'	1322	1322
11	A'	1192	1192
12	A'	943	943
13	A'	930	930
14	A'	418	418
15	A"	3091	3091
16	A"	1488	1488
17	A"	1066	1066
18	A"	1013	1013
19	A"	921	921
20	A"	584	584
21	A"	202	202

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	-0.356	0.880
H9	-1.775	-0.356	-0.880

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5023	2.5146	2.7667	3.5009	2.2146	1.0915	1.0933	1.0933
C2	1.5023		1.3382	2.1139	2.1155	1.0868	2.1499	2.1502	2.1502
C3	2.5146	1.3382		1.0846	1.0827	2.0917	2.6515	3.2290	3.2290
H4	2.7667	2.1139	1.0846		1.8521	3.0673	2.4492	3.5262	3.5262
H5	3.5009	2.1155	1.0827	1.8521		2.4276	3.7315	4.1404	4.1404
H6	2.2146	1.0868	2.0917	3.0673	2.4276		3.1033	2.5775	2.5775
H7	1.0915	2.1499	2.6515	2.4492	3.7315	3.1033		1.7722	1.7722
H8	1.0933	2.1502	3.2290	3.5262	4.1404	2.5775	1.7722		1.7590
H9	1.0933	2.1502	3.2290	3.5262	4.1404	2.5775	1.7722	1.7590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.465	C1	C2	H6	116.690
C2	C1	H7	110.969	C2	C1	H8	110.891
C2	C1	H9	110.891	C2	C3	H4	121.137
C2	C3	H5	121.450	C3	C2	H6	118.845
H4	C3	H5	117.413	H7	C1	H8	108.418
H7	C1	H9	108.418	H8	C1	H9	107.121

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD(T)/Def2TZVPP

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)/Def2TZVPP

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)