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	hartrees
Energy at 0K	-117.565280
Energy at 298.15K
HF Energy	-117.080548
Nuclear repulsion energy	69.990263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3249	3130
2	A'	3162	3045
3	A'	3149	3033
4	A'	3135	3020
5	A'	3041	2929
6	A'	1702	1640
7	A'	1487	1432
8	A'	1445	1392
9	A'	1399	1348
10	A'	1308	1260
11	A'	1185	1141
12	A'	937	903
13	A'	932	897
14	A'	416	400
15	A"	3113	2999
16	A"	1473	1418
17	A"	1056	1017
18	A"	1003	966
19	A"	906	873
20	A"	574	553
21	A"	198	190

Atom	x (Å)	y (Å)	z (Å)
C1	-1.151	-0.494	0.000
C2	0.000	0.483	0.000
C3	1.305	0.132	0.000
H4	1.612	-0.924	0.000
H5	2.101	0.886	0.000
H6	-0.262	1.553	0.000
H7	-0.787	-1.538	0.000
H8	-1.793	-0.350	0.890
H9	-1.793	-0.350	-0.890

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5105	2.5348	2.7960	3.5334	2.2322	1.1048	1.1067	1.1067
C2	1.5105		1.3516	2.1393	2.1395	1.1011	2.1688	2.1684	2.1684
C3	2.5348	1.3516		1.0987	1.0968	2.1156	2.6763	3.2593	3.2593
H4	2.7960	2.1393	1.0987		1.8744	3.1053	2.4760	3.5656	3.5656
H5	3.5334	2.1395	1.0968	1.8744		2.4557	3.7703	4.1817	4.1817
H6	2.2322	1.1011	2.1156	3.1053	2.4557		3.1347	2.5996	2.5996
H7	1.1048	2.1688	2.6763	2.4760	3.7703	3.1347		1.7928	1.7928
H8	1.1067	2.1684	3.2593	3.5656	4.1817	2.5996	1.7928		1.7796
H9	1.1067	2.1684	3.2593	3.5656	4.1817	2.5996	1.7928	1.7796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.568	C1	C2	H6	116.581
C2	C1	H7	111.097	C2	C1	H8	110.955
C2	C1	H9	110.955	C2	C3	H4	121.290
C2	C3	H5	121.467	C3	C2	H6	118.852
H4	C3	H5	117.243	H7	C1	H8	108.325
H7	C1	H9	108.325	H8	C1	H9	107.037

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD(T)=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)