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	hartrees
Energy at 0K	-20.381705
Energy at 298.15K	-20.387210
HF Energy	-19.936291
Nuclear repulsion energy	40.065888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3206	3024
2	A'	3123	2945
3	A'	3110	2933
4	A'	3095	2919
5	A'	3003	2832
6	A'	1670	1575
7	A'	1516	1430
8	A'	1459	1376
9	A'	1424	1343
10	A'	1307	1233
11	A'	1191	1123
12	A'	940	887
13	A'	921	869
14	A'	418	394
15	A"	3072	2897
16	A"	1496	1411
17	A"	1064	1004
18	A"	978	922
19	A"	826	779
20	A"	556	524
21	A"	182	172

Atom	x (Å)	y (Å)	z (Å)
C1	-1.155	-0.499	0.000
C2	0.000	0.487	0.000
C3	1.308	0.133	0.000
H4	1.616	-0.916	0.000
H5	2.101	0.883	0.000
H6	-0.262	1.551	0.000
H7	-0.786	-1.535	0.000
H8	-1.792	-0.355	0.887
H9	-1.792	-0.355	-0.887

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5194	2.5435	2.8021	3.5374	2.2366	1.0991	1.1012	1.1012
C2	1.5194		1.3551	2.1396	2.1376	1.0956	2.1695	2.1695	2.1695
C3	2.5435	1.3551		1.0930	1.0910	2.1156	2.6775	3.2610	3.2610
H4	2.8021	2.1396	1.0930		1.8629	3.1000	2.4805	3.5651	3.5651
H5	3.5374	2.1376	1.0910	1.8629		2.4554	3.7657	4.1798	4.1798
H6	2.2366	1.0956	2.1156	3.1000	2.4554		3.1299	2.6000	2.6000
H7	1.0991	2.1695	2.6775	2.4805	3.7657	3.1299		1.7857	1.7857
H8	1.1012	2.1695	3.2610	3.5651	4.1798	2.6000	1.7857		1.7743
H9	1.1012	2.1695	3.2610	3.5651	4.1798	2.6000	1.7857	1.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.364	C1	C2	H6	116.649
C2	C1	H7	110.874	C2	C1	H8	110.754
C2	C1	H9	110.754	C2	C3	H4	121.482
C2	C3	H5	121.447	C3	C2	H6	118.987
H4	C3	H5	117.071	H7	C1	H8	108.500
H7	C1	H9	108.500	H8	C1	H9	107.346

All results from a given calculation for CH₂CHCH₃ (Propene)

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

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)