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	hartrees
Energy at 0K	-116.719647
Energy at 298.15K	-116.725290
HF Energy	-116.422509
Nuclear repulsion energy	70.253939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3238	3124	21.88
2	A'	3167	3056	8.48
3	A'	3156	3045	19.40
4	A'	3129	3019	11.23
5	A'	3061	2953	16.83
6	A'	1728	1667	3.19
7	A'	1592	1536	9.79
8	A'	1529	1475	0.36
9	A'	1491	1439	4.94
10	A'	1386	1337	0.22
11	A'	1234	1190	0.92
12	A'	1008	973	3.53
13	A'	909	877	1.16
14	A'	443	428	0.63
15	A"	3115	3005	22.42
16	A"	1579	1523	6.78
17	A"	1131	1091	0.04
18	A"	1044	1007	16.44
19	A"	959	925	44.69
20	A"	594	574	13.00
21	A"	188	181	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	-1.146	-0.516	0.000
C2	0.000	0.487	0.000
C3	1.296	0.154	0.000
H4	1.620	-0.885	0.000
H5	2.084	0.902	0.000
H6	-0.289	1.538	0.000
H7	-0.756	-1.541	0.000
H8	-1.779	-0.383	0.887
H9	-1.779	-0.383	-0.887

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5231	2.5326	2.7908	3.5281	2.2258	1.0967	1.0978	1.0978
C2	1.5231		1.3382	2.1231	2.1252	1.0901	2.1644	2.1702	2.1702
C3	2.5326	1.3382		1.0886	1.0867	2.1042	2.6617	3.2454	3.2454
H4	2.7908	2.1231	1.0886		1.8467	3.0849	2.4650	3.5486	3.5486
H5	3.5281	2.1252	1.0867	1.8467		2.4569	3.7466	4.1671	4.1671
H6	2.2258	1.0901	2.1042	3.0849	2.4569		3.1143	2.5884	2.5884
H7	1.0967	2.1644	2.6617	2.4650	3.7466	3.1143		1.7814	1.7814
H8	1.0978	2.1702	3.2454	3.5486	4.1671	2.5884	1.7814		1.7746
H9	1.0978	2.1702	3.2454	3.5486	4.1671	2.5884	1.7814	1.7746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.406	C1	C2	H6	115.816
C2	C1	H7	110.348	C2	C1	H8	110.749
C2	C1	H9	110.749	C2	C3	H4	121.721
C2	C3	H5	122.084	C3	C2	H6	119.778
H4	C3	H5	116.195	H7	C1	H8	108.532
H7	C1	H9	108.532	H8	C1	H9	107.847

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP3/3-21G*

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: MP3/3-21G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)