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	hartrees
Energy at 0K	-117.537113
Energy at 298.15K	-117.542754
HF Energy	-117.081224
Nuclear repulsion energy	70.806143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3337	3120	20.81
2	A'	3252	3040	10.41
3	A'	3241	3030	25.08
4	A'	3220	3011	11.22
5	A'	3128	2924	22.36
6	A'	1780	1664	5.51
7	A'	1562	1460	7.94
8	A'	1512	1414	0.95
9	A'	1469	1373	0.80
10	A'	1365	1277	0.49
11	A'	1231	1151	0.13
12	A'	976	912	2.90
13	A'	959	897	0.91
14	A'	431	403	0.80
15	A"	3198	2990	25.05
16	A"	1546	1445	4.78
17	A"	1106	1034	2.06
18	A"	1047	979	12.45
19	A"	941	879	34.83
20	A"	593	555	8.48
21	A"	198	185	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	-1.138	-0.499	0.000
C2	0.000	0.480	0.000
C3	1.290	0.141	0.000
H4	1.603	-0.894	0.000
H5	2.072	0.885	0.000
H6	-0.270	1.530	0.000
H7	-0.772	-1.524	0.000
H8	-1.771	-0.362	0.877
H9	-1.771	-0.362	-0.877

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5015	2.5110	2.7696	3.4961	2.2071	1.0884	1.0903	1.0903
C2	1.5015		1.3335	2.1114	2.1113	1.0841	2.1472	2.1482	2.1482
C3	2.5110	1.3335		1.0816	1.0798	2.0884	2.6497	3.2234	3.2234
H4	2.7696	2.1114	1.0816		1.8403	3.0633	2.4566	3.5264	3.5264
H5	3.4961	2.1113	1.0798	1.8403		2.4290	3.7269	4.1344	4.1344
H6	2.2071	1.0841	2.0884	3.0633	2.4290		3.0947	2.5696	2.5696
H7	1.0884	2.1472	2.6497	2.4566	3.7269	3.0947		1.7658	1.7658
H8	1.0903	2.1482	3.2234	3.5264	4.1344	2.5696	1.7658		1.7548
H9	1.0903	2.1482	3.2234	3.5264	4.1344	2.5696	1.7658	1.7548

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.576	C1	C2	H6	116.285
C2	C1	H7	111.006	C2	C1	H8	110.973
C2	C1	H9	110.973	C2	C3	H4	121.559
C2	C3	H5	121.701	C3	C2	H6	119.139
H4	C3	H5	116.740	H7	C1	H8	108.285
H7	C1	H9	108.285	H8	C1	H9	107.177

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP3/6-31G**

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: MP3/6-31G**

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)