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	hartrees
Energy at 0K	-117.540366
Energy at 298.15K
HF Energy	-117.081109
Nuclear repulsion energy	70.733171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3318	3111	21.41
2	A'	3233	3031	9.07
3	A'	3221	3020	29.02
4	A'	3201	3001	10.81
5	A'	3108	2914	23.49
6	A'	1771	1661	4.48
7	A'	1559	1462	7.27
8	A'	1509	1415	0.97
9	A'	1467	1376	0.67
10	A'	1361	1276	0.56
11	A'	1228	1152	0.10
12	A'	974	913	2.62
13	A'	956	896	0.85
14	A'	431	404	0.74
15	A"	3178	2980	26.47
16	A"	1543	1447	4.47
17	A"	1104	1035	1.91
18	A"	1040	975	12.09
19	A"	942	883	33.58
20	A"	591	554	8.34
21	A"	196	183	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	-1.139	-0.499	0.000
C2	0.000	0.480	0.000
C3	1.291	0.140	0.000
H4	1.604	-0.896	0.000
H5	2.074	0.886	0.000
H6	-0.269	1.532	0.000
H7	-0.773	-1.525	0.000
H8	-1.773	-0.363	0.878
H9	-1.773	-0.363	-0.878

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5023	2.5132	2.7719	3.4992	2.2098	1.0897	1.0917	1.0917
C2	1.5023		1.3351	2.1136	2.1134	1.0855	2.1490	2.1509	2.1509
C3	2.5132	1.3351		1.0828	1.0811	2.0904	2.6520	3.2272	3.2272
H4	2.7719	2.1136	1.0828		1.8430	3.0665	2.4583	3.5300	3.5300
H5	3.4992	2.1134	1.0811	1.8430		2.4303	3.7305	4.1392	4.1392
H6	2.2098	1.0855	2.0904	3.0665	2.4303		3.0984	2.5741	2.5741
H7	1.0897	2.1490	2.6520	2.4583	3.7305	3.0984		1.7673	1.7673
H8	1.0917	2.1509	3.2272	3.5300	4.1392	2.5741	1.7673		1.7568
H9	1.0917	2.1509	3.2272	3.5300	4.1392	2.5741	1.7673	1.7568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.577	C1	C2	H6	116.347
C2	C1	H7	111.007	C2	C1	H8	111.042
C2	C1	H9	111.042	C2	C3	H4	121.536
C2	C3	H5	121.664	C3	C2	H6	119.076
H4	C3	H5	116.800	H7	C1	H8	108.226
H7	C1	H9	108.226	H8	C1	H9	107.152

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)