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	hartrees
Energy at 0K	-20.381959
Energy at 298.15K	-20.387464
HF Energy	-19.936271
Nuclear repulsion energy	40.062511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3206	3057
2	A'	3122	2978
3	A'	3109	2965
4	A'	3094	2951
5	A'	3002	2863
6	A'	1669	1591
7	A'	1516	1446
8	A'	1458	1391
9	A'	1423	1358
10	A'	1306	1246
11	A'	1190	1135
12	A'	940	896
13	A'	921	878
14	A'	418	398
15	A"	3071	2929
16	A"	1496	1427
17	A"	1064	1015
18	A"	977	932
19	A"	826	788
20	A"	556	530
21	A"	182	174

Atom	x (Å)	y (Å)	z (Å)
C1	-1.156	-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	-0.787	-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		1.5195	2.5438	2.8024	3.5377	2.2367	1.0992	1.1012	1.1012
C2	1.5195		1.3553	2.1398	2.1378	1.0956	2.1696	2.1697	2.1697
C3	2.5438	1.3553		1.0931	1.0911	2.1157	2.6778	3.2613	3.2613
H4	2.8024	2.1398	1.0931		1.8630	3.1002	2.4808	3.5655	3.5655
H5	3.5377	2.1378	1.0911	1.8630		2.4555	3.7661	4.1801	4.1801
H6	2.2367	1.0956	2.1157	3.1002	2.4555		3.1301	2.6003	2.6003
H7	1.0992	2.1696	2.6778	2.4808	3.7661	3.1301		1.7858	1.7858
H8	1.1012	2.1697	3.2613	3.5655	4.1801	2.6003	1.7858		1.7744
H9	1.1012	2.1697	3.2613	3.5655	4.1801	2.6003	1.7858	1.7744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.368	C1	C2	H6	116.651
C2	C1	H7	110.874	C2	C1	H8	110.757
C2	C1	H9	110.757	C2	C3	H4	121.480
C2	C3	H5	121.446	C3	C2	H6	118.981
H4	C3	H5	117.074	H7	C1	H8	108.498
H7	C1	H9	108.498	H8	C1	H9	107.344

All results from a given calculation for CH₂CHCH₃ (Propene)

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

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)