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	hartrees
Energy at 0K	-116.730349
Energy at 298.15K
HF Energy	-116.421961
Nuclear repulsion energy	70.095769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	3065	21.97
2	A'	3134	2998	7.52
3	A'	3123	2987	21.65
4	A'	3096	2962	11.01
5	A'	3028	2897	17.08
6	A'	1708	1634	2.10
7	A'	1580	1512	8.93
8	A'	1515	1449	0.36
9	A'	1481	1416	4.96
10	A'	1373	1313	0.31
11	A'	1224	1170	0.93
12	A'	1001	958	3.26
13	A'	900	861	1.03
14	A'	441	421	0.55
15	A"	3082	2948	22.98
16	A"	1568	1499	6.38
17	A"	1122	1073	0.01
18	A"	1028	983	15.24
19	A"	955	913	42.21
20	A"	588	563	12.52
21	A"	182	174	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	-1.149	-0.516	0.000
C2	0.000	0.488	0.000
C3	1.299	0.154	0.000
H4	1.624	-0.888	0.000
H5	2.089	0.904	0.000
H6	-0.289	1.542	0.000
H7	-0.760	-1.544	0.000
H8	-1.783	-0.383	0.889
H9	-1.783	-0.383	-0.889

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5258	2.5384	2.7980	3.5359	2.2301	1.0992	1.1003	1.1003
C2	1.5258		1.3417	2.1284	2.1303	1.0926	2.1695	2.1748	2.1748
C3	2.5384	1.3417		1.0909	1.0893	2.1093	2.6691	3.2529	3.2529
H4	2.7980	2.1284	1.0909		1.8509	3.0922	2.4729	3.5574	3.5574
H5	3.5359	2.1303	1.0893	1.8509		2.4623	3.7565	4.1766	4.1766
H6	2.2301	1.0926	2.1093	3.0922	2.4623		3.1214	2.5940	2.5940
H7	1.0992	2.1695	2.6691	2.4729	3.7565	3.1214		1.7847	1.7847
H8	1.1003	2.1748	3.2529	3.5574	4.1766	2.5940	1.7847		1.7784
H9	1.1003	2.1748	3.2529	3.5574	4.1766	2.5940	1.7847	1.7784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.434	C1	C2	H6	115.809
C2	C1	H7	110.423	C2	C1	H8	110.775
C2	C1	H9	110.775	C2	C3	H4	121.741
C2	C3	H5	122.060	C3	C2	H6	119.757
H4	C3	H5	116.199	H7	C1	H8	108.470
H7	C1	H9	108.470	H8	C1	H9	107.838

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)