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	hartrees
Energy at 0K	-117.508618
Energy at 298.15K	-117.514196
HF Energy	-117.069882
Nuclear repulsion energy	70.352807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3239	3239
2	A'	3160	3160
3	A'	3150	3150
4	A'	3127	3127
5	A'	3043	3043
6	A'	1720	1720
7	A'	1539	1539
8	A'	1484	1484
9	A'	1449	1449
10	A'	1341	1341
11	A'	1213	1213
12	A'	964	964
13	A'	943	943
14	A'	426	426
15	A"	3104	3104
16	A"	1524	1524
17	A"	1088	1088
18	A"	1009	1009
19	A"	903	903
20	A"	579	579
21	A"	192	192

Atom	x (Å)	y (Å)	z (Å)
C1	-1.146	-0.495	0.000
C2	0.000	0.481	0.000
C3	1.298	0.135	0.000
H4	1.612	-0.910	0.000
H5	2.091	0.882	0.000
H6	-0.267	1.542	0.000
H7	-0.781	-1.531	0.000
H8	-1.784	-0.355	0.884
H9	-1.784	-0.355	-0.884

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5057	2.5241	2.7885	3.5176	2.2187	1.0976	1.0996	1.0996
C2	1.5057		1.3436	2.1291	2.1288	1.0936	2.1581	2.1597	2.1597
C3	2.5241	1.3436		1.0909	1.0892	2.1045	2.6640	3.2438	3.2438
H4	2.7885	2.1291	1.0909		1.8550	3.0887	2.4717	3.5526	3.5526
H5	3.5176	2.1288	1.0892	1.8550		2.4483	3.7507	4.1625	4.1625
H6	2.2187	1.0936	2.1045	3.0887	2.4483		3.1150	2.5848	2.5848
H7	1.0976	2.1581	2.6640	2.4717	3.7507	3.1150		1.7806	1.7806
H8	1.0996	2.1597	3.2438	3.5526	4.1625	2.5848	1.7806		1.7688
H9	1.0996	2.1597	3.2438	3.5526	4.1625	2.5848	1.7806	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.620	C1	C2	H6	116.312
C2	C1	H7	111.022	C2	C1	H8	111.027
C2	C1	H9	111.027	C2	C3	H4	121.632
C2	C3	H5	121.752	C3	C2	H6	119.068
H4	C3	H5	116.616	H7	C1	H8	108.266
H7	C1	H9	108.266	H8	C1	H9	107.084

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)