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	hartrees
Energy at 0K	-117.346145
Energy at 298.15K	-117.351723
HF Energy	-117.024725
Nuclear repulsion energy	69.713397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3183	3183
2	A'	3104	3104
3	A'	3092	3092
4	A'	3062	3062
5	A'	2984	2984
6	A'	1682	1682
7	A'	1546	1546
8	A'	1487	1487
9	A'	1464	1464
10	A'	1348	1348
11	A'	1213	1213
12	A'	977	977
13	A'	921	921
14	A'	428	428
15	A"	3044	3044
16	A"	1528	1528
17	A"	1103	1103
18	A"	999	999
19	A"	909	909
20	A"	578	578
21	A"	183	183

Atom	x (Å)	y (Å)	z (Å)
C1	-1.160	-0.502	0.000
C2	0.000	0.486	0.000
C3	1.313	0.139	0.000
H4	1.633	-0.909	0.000
H5	2.110	0.889	0.000
H6	-0.275	1.550	0.000
H7	-0.788	-1.542	0.000
H8	-1.800	-0.364	0.891
H9	-1.800	-0.364	-0.891

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5231	2.5543	2.8226	3.5531	2.2339	1.1044	1.1056	1.1056
C2	1.5231		1.3578	2.1480	2.1481	1.0987	2.1752	2.1804	2.1804
C3	2.5543	1.3578		1.0964	1.0943	2.1236	2.6907	3.2764	3.2764
H4	2.8226	2.1480	1.0964		1.8603	3.1123	2.5027	3.5885	3.5885
H5	3.5531	2.1481	1.0943	1.8603		2.4746	3.7825	4.2010	4.2010
H6	2.2339	1.0987	2.1236	3.1123	2.4746		3.1335	2.6036	2.6036
H7	1.1044	2.1752	2.6907	2.5027	3.7825	3.1335		1.7902	1.7902
H8	1.1056	2.1804	3.2764	3.5885	4.2010	2.6036	1.7902		1.7817
H9	1.1056	2.1804	3.2764	3.5885	4.2010	2.6036	1.7902	1.7817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.801	C1	C2	H6	115.928
C2	C1	H7	110.756	C2	C1	H8	111.088
C2	C1	H9	111.088	C2	C3	H4	121.779
C2	C3	H5	121.969	C3	C2	H6	119.271
H4	C3	H5	116.252	H7	C1	H8	108.202
H7	C1	H9	108.202	H8	C1	H9	107.367

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: QCISD(TQ)/6-31G

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(TQ)/6-31G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)