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	hartrees
Energy at 0K	-20.165472
Energy at 298.15K	-20.170950
HF Energy	-19.872342
Nuclear repulsion energy	39.243578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3167	3167
2	A'	3086	3086
3	A'	3066	3066
4	A'	3052	3052
5	A'	2961	2961
6	A'	1641	1641
7	A'	1497	1497
8	A'	1449	1449
9	A'	1425	1425
10	A'	1303	1303
11	A'	1183	1183
12	A'	939	939
13	A'	900	900
14	A'	407	407
15	A"	3033	3033
16	A"	1475	1475
17	A"	1067	1067
18	A"	962	962
19	A"	828	828
20	A"	558	558
21	A"	181	181

Atom	x (Å)	y (Å)	z (Å)
C1	-1.187	-0.497	0.000
C2	0.000	0.502	0.000
C3	1.343	0.118	0.000
H4	1.645	-0.948	0.000
H5	2.154	0.874	0.000
H6	-0.255	1.582	0.000
H7	-0.819	-1.551	0.000
H8	-1.832	-0.349	0.903
H9	-1.832	-0.349	-0.903

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5509	2.6040	2.8677	3.6116	2.2785	1.1163	1.1189	1.1189
C2	1.5509		1.3970	2.1923	2.1864	1.1105	2.2097	2.2119	2.2119
C3	2.6040	1.3970		1.1076	1.1087	2.1675	2.7316	3.3336	3.3336
H4	2.8677	2.1923	1.1076		1.8914	3.1639	2.5371	3.6415	3.6415
H5	3.6116	2.1864	1.1087	1.8914		2.5113	3.8369	4.2660	4.2660
H6	2.2785	1.1105	2.1675	3.1639	2.5113		3.1835	2.6515	2.6515
H7	1.1163	2.2097	2.7316	2.5371	3.8369	3.1835		1.8121	1.8121
H8	1.1189	2.2119	3.3336	3.6415	4.2660	2.6515	1.8121		1.8050
H9	1.1189	2.2119	3.3336	3.6415	4.2660	2.6515	1.8121	1.8050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.010	C1	C2	H6	116.796
C2	C1	H7	110.829	C2	C1	H8	110.851
C2	C1	H9	110.851	C2	C3	H4	121.736
C2	C3	H5	121.093	C3	C2	H6	119.194
H4	C3	H5	117.171	H7	C1	H8	108.330
H7	C1	H9	108.330	H8	C1	H9	107.534

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD(T)=FULL/CEP-31G

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-31G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)