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	hartrees
Energy at 0K	-117.335533
Energy at 298.15K
HF Energy	-117.025501
Nuclear repulsion energy	69.886048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3208	3078	30.74
2	A'	3128	3002	5.63
3	A'	3115	2989	36.88
4	A'	3084	2959	16.66
5	A'	3006	2885	25.21
6	A'	1716	1646	2.93
7	A'	1555	1492	8.43
8	A'	1500	1439	1.06
9	A'	1476	1417	3.39
10	A'	1362	1307	0.40
11	A'	1223	1174	0.54
12	A'	985	945	2.78
13	A'	933	896	0.87
14	A'	434	416	0.51
15	A"	3067	2943	31.68
16	A"	1536	1474	6.55
17	A"	1114	1069	0.58
18	A"	1016	975	16.41
19	A"	937	899	42.08
20	A"	587	564	10.67
21	A"	184	177	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	-1.155	-0.504	0.000
C2	0.000	0.485	0.000
C3	1.308	0.143	0.000
H4	1.631	-0.903	0.000
H5	2.102	0.893	0.000
H6	-0.277	1.546	0.000
H7	-0.782	-1.542	0.000
H8	-1.795	-0.369	0.890
H9	-1.795	-0.369	-0.890

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5202	2.5464	2.8145	3.5439	2.2299	1.1031	1.1043	1.1043
C2	1.5202		1.3518	2.1415	2.1412	1.0971	2.1721	2.1779	2.1779
C3	2.5464	1.3518		1.0947	1.0925	2.1172	2.6842	3.2684	3.2684
H4	2.8145	2.1415	1.0947		1.8571	3.1050	2.4959	3.5797	3.5797
H5	3.5439	2.1412	1.0925	1.8571		2.4671	3.7743	4.1919	4.1919
H6	2.2299	1.0971	2.1172	3.1050	2.4671		3.1289	2.6009	2.6009
H7	1.1031	2.1721	2.6842	2.4959	3.7743	3.1289		1.7869	1.7869
H8	1.1043	2.1779	3.2684	3.5797	4.1919	2.6009	1.7869		1.7795
H9	1.1043	2.1779	3.2684	3.5797	4.1919	2.6009	1.7869	1.7795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.796	C1	C2	H6	115.912
C2	C1	H7	110.781	C2	C1	H8	111.177
C2	C1	H9	111.177	C2	C3	H4	121.813
C2	C3	H5	121.962	C3	C2	H6	119.291
H4	C3	H5	116.225	H7	C1	H8	108.097
H7	C1	H9	108.097	H8	C1	H9	107.365

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCD/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: CCD/6-31G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)