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	hartrees
Energy at 0K	-117.580540
Energy at 298.15K	-117.586121
HF Energy	-117.084736
Nuclear repulsion energy	70.523500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3289	3289
2	A'	3201	3201
3	A'	3191	3191
4	A'	3169	3169
5	A'	3076	3076
6	A'	1715	1715
7	A'	1537	1537
8	A'	1487	1487
9	A'	1447	1447
10	A'	1339	1339
11	A'	1212	1212
12	A'	962	962
13	A'	940	940
14	A'	424	424
15	A"	3146	3146
16	A"	1516	1516
17	A"	1082	1082
18	A"	1007	1007
19	A"	897	897
20	A"	575	575
21	A"	189	189

Atom	x (Å)	y (Å)	z (Å)
C1	-1.146	-0.492	0.000
C2	0.000	0.481	0.000
C3	1.298	0.131	0.000
H4	1.604	-0.909	0.000
H5	2.085	0.875	0.000
H6	-0.260	1.537	0.000
H7	-0.784	-1.522	0.000
H8	-1.779	-0.350	0.880
H9	-1.779	-0.350	-0.880

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5040	2.5228	2.7812	3.5086	2.2145	1.0910	1.0928	1.0928
C2	1.5040		1.3447	2.1225	2.1219	1.0870	2.1511	2.1516	2.1516
C3	2.5228	1.3447		1.0843	1.0825	2.0983	2.6589	3.2364	3.2364
H4	2.7812	2.1225	1.0843		1.8478	3.0749	2.4652	3.5394	3.5394
H5	3.5086	2.1219	1.0825	1.8478		2.4364	3.7385	4.1477	4.1477
H6	2.2145	1.0870	2.0983	3.0749	2.4364		3.1032	2.5773	2.5773
H7	1.0910	2.1511	2.6589	2.4652	3.7385	3.1032		1.7707	1.7707
H8	1.0928	2.1516	3.2364	3.5394	4.1477	2.5773	1.7707		1.7593
H9	1.0928	2.1516	3.2364	3.5394	4.1477	2.5773	1.7707	1.7593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.561	C1	C2	H6	116.531
C2	C1	H7	110.977	C2	C1	H8	110.906
C2	C1	H9	110.906	C2	C3	H4	121.442
C2	C3	H5	121.530	C3	C2	H6	118.907
H4	C3	H5	117.028	H7	C1	H8	108.353
H7	C1	H9	108.353	H8	C1	H9	107.211

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD(T)=FULL/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)