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	hartrees
Energy at 0K	-20.203400
Energy at 298.15K	-20.208873
HF Energy	-19.883453
Nuclear repulsion energy	39.584402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3116	3116
2	A'	3031	3031
3	A'	3011	3011
4	A'	2989	2989
5	A'	2893	2893
6	A'	1623	1623
7	A'	1504	1504
8	A'	1448	1448
9	A'	1428	1428
10	A'	1301	1301
11	A'	1182	1182
12	A'	941	941
13	A'	898	898
14	A'	412	412
15	A"	2973	2973
16	A"	1473	1473
17	A"	1065	1065
18	A"	951	951
19	A"	804	804
20	A"	544	544
21	A"	168	168

Atom	x (Å)	y (Å)	z (Å)
C1	-1.174	-0.504	0.000
C2	0.000	0.495	0.000
C3	1.328	0.134	0.000
H4	1.639	-0.923	0.000
H5	2.130	0.885	0.000
H6	-0.269	1.565	0.000
H7	-0.799	-1.548	0.000
H8	-1.814	-0.363	0.896
H9	-1.814	-0.363	-0.896

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5414	2.5822	2.8438	3.5842	2.2583	1.1089	1.1104	1.1104
C2	1.5414		1.3768	2.1672	2.1657	1.1035	2.1935	2.1980	2.1980
C3	2.5822	1.3768		1.1012	1.0989	2.1452	2.7118	3.3055	3.3055
H4	2.8438	2.1672	1.1012		1.8735	3.1355	2.5169	3.6112	3.6112
H5	3.5842	2.1657	1.0989	1.8735		2.4940	3.8078	4.2333	4.2333
H6	2.2583	1.1035	2.1452	3.1355	2.4940		3.1577	2.6284	2.6284
H7	1.1089	2.1935	2.7118	2.5169	3.8078	3.1577		1.7991	1.7991
H8	1.1104	2.1980	3.3055	3.6112	4.2333	2.6284	1.7991		1.7922
H9	1.1104	2.1980	3.3055	3.6112	4.2333	2.6284	1.7991	1.7922

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.378	C1	C2	H6	116.284
C2	C1	H7	110.656	C2	C1	H8	110.914
C2	C1	H9	110.914	C2	C3	H4	121.596
C2	C3	H5	121.642	C3	C2	H6	119.338
H4	C3	H5	116.762	H7	C1	H8	108.319
H7	C1	H9	108.319	H8	C1	H9	107.604

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD(T)=FULL/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)