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	hartrees
Energy at 0K	-20.159505
Energy at 298.15K	-20.165103
HF Energy	-19.886077
Nuclear repulsion energy	39.922658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	2969	40.47
2	A'	3132	2894	17.33
3	A'	3109	2873	34.17
4	A'	3085	2851	20.84
5	A'	2989	2762	37.20
6	A'	1708	1578	8.73
7	A'	1545	1428	11.74
8	A'	1495	1382	2.87
9	A'	1471	1359	2.00
10	A'	1350	1247	0.07
11	A'	1222	1129	0.56
12	A'	972	898	2.61
13	A'	933	862	1.10
14	A'	427	395	0.51
15	A"	3067	2834	41.40
16	A"	1517	1401	8.44
17	A"	1106	1022	4.70
18	A"	1013	936	23.79
19	A"	893	825	52.93
20	A"	580	536	11.30
21	A"	178	165	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	-1.161	-0.509	0.000
C2	0.000	0.489	0.000
C3	1.315	0.144	0.000
H4	1.634	-0.901	0.000
H5	2.104	0.897	0.000
H6	-0.276	1.549	0.000
H7	-0.788	-1.544	0.000
H8	-1.798	-0.372	0.889
H9	-1.798	-0.372	-0.889

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5312	2.5605	2.8223	3.5548	2.2403	1.1005	1.1022	1.1022
C2	1.5312		1.3592	2.1452	2.1431	1.0950	2.1807	2.1828	2.1828
C3	2.5605	1.3592		1.0928	1.0906	2.1219	2.6964	3.2781	3.2781
H4	2.8223	2.1452	1.0928		1.8583	3.1062	2.5055	3.5846	3.5846
H5	3.5548	2.1431	1.0906	1.8583		2.4673	3.7842	4.1983	4.1983
H6	2.2403	1.0950	2.1219	3.1062	2.4673		3.1352	2.6071	2.6071
H7	1.1005	2.1807	2.6964	2.5055	3.7842	3.1352		1.7850	1.7850
H8	1.1022	2.1828	3.2781	3.5846	4.1983	2.6071	1.7850		1.7778
H9	1.1022	2.1828	3.2781	3.5846	4.1983	2.6071	1.7850	1.7778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.609	C1	C2	H6	116.106
C2	C1	H7	110.853	C2	C1	H8	110.920
C2	C1	H9	110.920	C2	C3	H4	121.686
C2	C3	H5	121.650	C3	C2	H6	119.286
H4	C3	H5	116.663	H7	C1	H8	108.259
H7	C1	H9	108.259	H8	C1	H9	107.504

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CID/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: CID/CEP-121G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)