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	hartrees
Energy at 0K	-117.600325
Energy at 298.15K	-117.605970
HF Energy	-117.087453
Nuclear repulsion energy	70.783883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3304	3304	12.02
2	A'	3225	3225	10.17
3	A'	3212	3212	11.48
4	A'	3194	3194	7.39
5	A'	3104	3104	15.59
6	A'	1752	1752	7.15
7	A'	1531	1531	10.38
8	A'	1482	1482	1.08
9	A'	1438	1438	1.23
10	A'	1350	1350	0.42
11	A'	1212	1212	0.24
12	A'	958	958	4.00
13	A'	947	947	1.15
14	A'	424	424	0.89
15	A"	3171	3171	14.95
16	A"	1518	1518	5.56
17	A"	1089	1089	2.02
18	A"	1051	1051	9.54
19	A"	964	964	34.51
20	A"	598	598	9.05
21	A"	204	204	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	-1.136	-0.505	0.000
C2	0.000	0.479	0.000
C3	1.289	0.147	0.000
H4	1.608	-0.888	0.000
H5	2.068	0.897	0.000
H6	-0.276	1.529	0.000
H7	-0.769	-1.531	0.000
H8	-1.772	-0.367	0.878
H9	-1.772	-0.367	-0.878

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5028	2.5109	2.7706	3.4977	2.2079	1.0904	1.0924	1.0924
C2	1.5028		1.3305	2.1102	2.1101	1.0857	2.1523	2.1509	2.1509
C3	2.5109	1.3305		1.0834	1.0817	2.0872	2.6557	3.2252	3.2252
H4	2.7706	2.1102	1.0834		1.8436	3.0642	2.4624	3.5303	3.5303
H5	3.4977	2.1101	1.0817	1.8436		2.4279	3.7348	4.1371	4.1371
H6	2.2079	1.0857	2.0872	3.0642	2.4279		3.0997	2.5698	2.5698
H7	1.0904	2.1523	2.6557	2.4624	3.7348	3.0997		1.7694	1.7694
H8	1.0924	2.1509	3.2252	3.5303	4.1371	2.5698	1.7694		1.7557
H9	1.0924	2.1509	3.2252	3.5303	4.1371	2.5698	1.7694	1.7557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.698	C1	C2	H6	116.146
C2	C1	H7	111.205	C2	C1	H8	110.961
C2	C1	H9	110.961	C2	C3	H4	121.558
C2	C3	H5	121.696	C3	C2	H6	119.156
H4	C3	H5	116.746	H7	C1	H8	108.308
H7	C1	H9	108.308	H8	C1	H9	106.944

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP3/6-31G(2df,p)

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: MP3/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)