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	hartrees
Energy at 0K	-116.741335
Energy at 298.15K	-116.746929
HF Energy	-116.421269
Nuclear repulsion energy	69.927046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3181	3181
2	A'	3110	3110
3	A'	3099	3099
4	A'	3073	3073
5	A'	3005	3005
6	A'	1674	1674
7	A'	1571	1571
8	A'	1501	1501
9	A'	1469	1469
10	A'	1358	1358
11	A'	1212	1212
12	A'	993	993
13	A'	888	888
14	A'	435	435
15	A"	3057	3057
16	A"	1558	1558
17	A"	1110	1110
18	A"	1011	1011
19	A"	927	927
20	A"	578	578
21	A"	182	182

Atom	x (Å)	y (Å)	z (Å)
C1	-1.153	-0.514	0.000
C2	0.000	0.490	0.000
C3	1.304	0.149	0.000
H4	1.624	-0.896	0.000
H5	2.098	0.897	0.000
H6	-0.285	1.546	0.000
H7	-0.765	-1.543	0.000
H8	-1.788	-0.379	0.891
H9	-1.788	-0.379	-0.891

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5287	2.5448	2.8028	3.5437	2.2353	1.1006	1.1018	1.1018
C2	1.5287		1.3477	2.1344	2.1368	1.0941	2.1726	2.1780	2.1780
C3	2.5448	1.3477		1.0925	1.0907	2.1160	2.6730	3.2602	3.2602
H4	2.8028	2.1344	1.0925		1.8543	3.0993	2.4748	3.5632	3.5632
H5	3.5437	2.1368	1.0907	1.8543		2.4697	3.7618	4.1853	4.1853
H6	2.2353	1.0941	2.1160	3.0993	2.4697		3.1268	2.5993	2.5993
H7	1.1006	2.1726	2.6730	2.4748	3.7618	3.1268		1.7876	1.7876
H8	1.1018	2.1780	3.2602	3.5632	4.1853	2.5993	1.7876		1.7813
H9	1.1018	2.1780	3.2602	3.5632	4.1853	2.5993	1.7876	1.7813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.315	C1	C2	H6	115.923
C2	C1	H7	110.380	C2	C1	H8	110.734
C2	C1	H9	110.734	C2	C3	H4	121.665
C2	C3	H5	122.051	C3	C2	H6	119.762
H4	C3	H5	116.284	H7	C1	H8	108.519
H7	C1	H9	108.519	H8	C1	H9	107.869

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: QCISD(TQ)/3-21G

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)/3-21G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)