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	hartrees
Energy at 0K	-117.559199
Energy at 298.15K	-117.564795
HF Energy	-117.080621
Nuclear repulsion energy	70.541684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3293	3293
2	A'	3208	3208
3	A'	3197	3197
4	A'	3176	3176
5	A'	3084	3084
6	A'	1729	1729
7	A'	1547	1547
8	A'	1493	1493
9	A'	1451	1451
10	A'	1344	1344
11	A'	1215	1215
12	A'	964	964
13	A'	944	944
14	A'	424	424
15	A"	3152	3152
16	A"	1531	1531
17	A"	1089	1089
18	A"	1018	1018
19	A"	907	907
20	A"	579	579
21	A"	195	195

Atom	x (Å)	y (Å)	z (Å)
C1	-1.145	-0.494	0.000
C2	0.000	0.482	0.000
C3	1.297	0.133	0.000
H4	1.603	-0.907	0.000
H5	2.085	0.876	0.000
H6	-0.263	1.537	0.000
H7	-0.781	-1.523	0.000
H8	-1.779	-0.355	0.880
H9	-1.779	-0.355	-0.880

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5044	2.5208	2.7787	3.5081	2.2139	1.0913	1.0933	1.0933
C2	1.5044		1.3428	2.1212	2.1217	1.0871	2.1518	2.1535	2.1535
C3	2.5208	1.3428		1.0845	1.0827	2.0984	2.6571	3.2358	3.2358
H4	2.7787	2.1212	1.0845		1.8467	3.0750	2.4624	3.5379	3.5379
H5	3.5081	2.1217	1.0827	1.8467		2.4394	3.7372	4.1490	4.1490
H6	2.2139	1.0871	2.0984	3.0750	2.4394		3.1033	2.5781	2.5781
H7	1.0913	2.1518	2.6571	2.4624	3.7372	3.1033		1.7707	1.7707
H8	1.0933	2.1535	3.2358	3.5379	4.1490	2.5781	1.7707		1.7593
H9	1.0933	2.1535	3.2358	3.5379	4.1490	2.5781	1.7707	1.7593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.494	C1	C2	H6	116.439
C2	C1	H7	110.983	C2	C1	H8	110.997
C2	C1	H9	110.997	C2	C3	H4	121.462
C2	C3	H5	121.659	C3	C2	H6	119.068
H4	C3	H5	116.879	H7	C1	H8	108.292
H7	C1	H9	108.292	H8	C1	H9	107.137

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)