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	hartrees
Energy at 0K	-20.165463
Energy at 298.15K	-20.170942
HF Energy	-19.872352
Nuclear repulsion energy	39.244263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3167	3020
2	A'	3086	2943
3	A'	3066	2924
4	A'	3052	2911
5	A'	2961	2824
6	A'	1641	1565
7	A'	1498	1428
8	A'	1449	1382
9	A'	1425	1359
10	A'	1303	1243
11	A'	1183	1128
12	A'	939	895
13	A'	900	858
14	A'	407	388
15	A"	3033	2892
16	A"	1475	1407
17	A"	1067	1018
18	A"	962	918
19	A"	829	790
20	A"	558	532
21	A"	181	173

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	-0.947	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	0.902
H9	-1.832	-0.349	-0.902

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5509	2.6039	2.8678	3.6116	2.2784	1.1163	1.1189	1.1189
C2	1.5509		1.3969	2.1922	2.1864	1.1105	2.2097	2.2119	2.2119
C3	2.6039	1.3969		1.1075	1.1086	2.1675	2.7316	3.3336	3.3336
H4	2.8678	2.1922	1.1075		1.8913	3.1638	2.5372	3.6415	3.6415
H5	3.6116	2.1864	1.1086	1.8913		2.5113	3.8369	4.2660	4.2660
H6	2.2784	1.1105	2.1675	3.1638	2.5113		3.1834	2.6515	2.6515
H7	1.1163	2.2097	2.7316	2.5372	3.8369	3.1834		1.8120	1.8120
H8	1.1189	2.2119	3.3336	3.6415	4.2660	2.6515	1.8120		1.8050
H9	1.1189	2.2119	3.3336	3.6415	4.2660	2.6515	1.8120	1.8050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.013	C1	C2	H6	116.792
C2	C1	H7	110.829	C2	C1	H8	110.854
C2	C1	H9	110.854	C2	C3	H4	121.740
C2	C3	H5	121.095	C3	C2	H6	119.195
H4	C3	H5	117.165	H7	C1	H8	108.327
H7	C1	H9	108.327	H8	C1	H9	107.531

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: QCISD(T)/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: QCISD(T)/CEP-31G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)