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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	3115	21.97
2	A'	3134	3048	7.52
3	A'	3123	3036	21.64
4	A'	3096	3011	11.02
5	A'	3028	2945	17.08
6	A'	1708	1661	2.10
7	A'	1580	1537	8.93
8	A'	1515	1473	0.35
9	A'	1481	1440	4.96
10	A'	1373	1335	0.31
11	A'	1224	1190	0.93
12	A'	1001	973	3.26
13	A'	900	875	1.04
14	A'	441	428	0.55
15	A"	3082	2996	22.98
16	A"	1568	1524	6.38
17	A"	1122	1091	0.01
18	A"	1028	1000	15.24
19	A"	955	928	42.21
20	A"	588	572	12.52
21	A"	182	177	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)