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	hartrees
Energy at 0K	-117.592444
Energy at 298.15K
HF Energy	-117.116901
Nuclear repulsion energy	71.227918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3327	3082	15.05
2	A'	3250	3011	9.36
3	A'	3235	2997	16.02
4	A'	3209	2973	11.75
5	A'	3123	2893	21.83
6	A'	1793	1661	11.71
7	A'	1553	1439	13.58
8	A'	1511	1400	0.93
9	A'	1464	1356	1.39
10	A'	1375	1274	0.13
11	A'	1238	1147	0.20
12	A'	979	907	3.18
13	A'	964	893	2.04
14	A'	436	404	0.96
15	A"	3183	2949	19.55
16	A"	1539	1426	6.42
17	A"	1121	1039	3.98
18	A"	1071	993	10.32
19	A"	1002	928	46.84
20	A"	616	571	11.45
21	A"	209	194	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	-1.129	-0.504	0.000
C2	0.000	0.475	0.000
C3	1.280	0.149	0.000
H4	1.596	-0.881	0.000
H5	2.050	0.899	0.000
H6	-0.270	1.520	0.000
H7	-0.763	-1.523	0.000
H8	-1.761	-0.368	0.873
H9	-1.761	-0.368	-0.873

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4944	2.4966	2.7516	3.4754	2.1982	1.0834	1.0856	1.0856
C2	1.4944		1.3214	2.0944	2.0938	1.0788	2.1386	2.1381	2.1381
C3	2.4966	1.3214		1.0768	1.0750	2.0695	2.6398	3.2056	3.2056
H4	2.7516	2.0944	1.0768		1.8368	3.0404	2.4446	3.5061	3.5061
H5	3.4754	2.0938	1.0750	1.8368		2.4019	3.7119	4.1096	4.1096
H6	2.1982	1.0788	2.0695	3.0404	2.4019		3.0822	2.5584	2.5584
H7	1.0834	2.1386	2.6398	2.4446	3.7119	3.0822		1.7586	1.7586
H8	1.0856	2.1381	3.2056	3.5061	4.1096	2.5584	1.7586		1.7456
H9	1.0856	2.1381	3.2056	3.5061	4.1096	2.5584	1.7586	1.7456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.789	C1	C2	H6	116.426
C2	C1	H7	111.120	C2	C1	H8	110.935
C2	C1	H9	110.935	C2	C3	H4	121.351
C2	C3	H5	121.444	C3	C2	H6	118.785
H4	C3	H5	117.205	H7	C1	H8	108.342
H7	C1	H9	108.342	H8	C1	H9	107.020

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CID/cc-pVTZ

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: CID/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)