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	hartrees
Energy at 0K	-117.600885
Energy at 298.15K	-117.606450
HF Energy	-117.101850
Nuclear repulsion energy	70.320227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3227	3227
2	A'	3146	3146
3	A'	3134	3134
4	A'	3113	3113
5	A'	3028	3028
6	A'	1689	1689
7	A'	1506	1506
8	A'	1455	1455
9	A'	1416	1416
10	A'	1313	1313
11	A'	1190	1190
12	A'	943	943
13	A'	928	928
14	A'	418	418
15	A"	3090	3090
16	A"	1490	1490
17	A"	1066	1066
18	A"	1000	1000
19	A"	887	887
20	A"	570	570
21	A"	191	191

Atom	x (Å)	y (Å)	z (Å)
C1	-1.147	-0.498	0.000
C2	0.000	0.483	0.000
C3	1.299	0.135	0.000
H4	1.606	-0.911	0.000
H5	2.088	0.885	0.000
H6	-0.265	1.543	0.000
H7	-0.779	-1.531	0.000
H8	-1.782	-0.355	0.885
H9	-1.782	-0.355	-0.885

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5091	2.5265	2.7832	3.5178	2.2231	1.0968	1.0988	1.0988
C2	1.5091		1.3450	2.1264	2.1263	1.0924	2.1599	2.1594	2.1594
C3	2.5265	1.3450		1.0901	1.0881	2.1044	2.6639	3.2434	3.2434
H4	2.7832	2.1264	1.0901		1.8592	3.0856	2.4642	3.5455	3.5455
H5	3.5178	2.1263	1.0881	1.8592		2.4434	3.7493	4.1594	4.1594
H6	2.2231	1.0924	2.1044	3.0856	2.4434		3.1169	2.5863	2.5863
H7	1.0968	2.1599	2.6639	2.4642	3.7493	3.1169		1.7810	1.7810
H8	1.0988	2.1594	3.2434	3.5455	4.1594	2.5863	1.7810		1.7697
H9	1.0988	2.1594	3.2434	3.5455	4.1594	2.5863	1.7810	1.7697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.456	C1	C2	H6	116.505
C2	C1	H7	110.969	C2	C1	H8	110.814
C2	C1	H9	110.814	C2	C3	H4	121.326
C2	C3	H5	121.471	C3	C2	H6	119.039
H4	C3	H5	117.204	H7	C1	H8	108.421
H7	C1	H9	108.421	H8	C1	H9	107.277

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: QCISD(T)/6-311G**

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)/6-311G**

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)