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	hartrees
Energy at 0K	-117.324547
Energy at 298.15K	-117.330177
HF Energy	-117.026149
Nuclear repulsion energy	70.033327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3239	3128	31.16
2	A'	3160	3052	6.23
3	A'	3147	3040	35.24
4	A'	3115	3009	16.89
5	A'	3038	2934	25.19
6	A'	1735	1676	4.37
7	A'	1566	1513	9.21
8	A'	1513	1461	0.97
9	A'	1486	1435	3.43
10	A'	1374	1327	0.29
11	A'	1232	1190	0.56
12	A'	992	958	3.03
13	A'	941	909	0.96
14	A'	436	421	0.59
15	A"	3099	2993	31.27
16	A"	1547	1494	6.96
17	A"	1122	1084	0.79
18	A"	1031	996	17.44
19	A"	939	907	44.94
20	A"	593	572	10.90
21	A"	188	181	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	-1.153	-0.505	0.000
C2	0.000	0.484	0.000
C3	1.305	0.144	0.000
H4	1.629	-0.899	0.000
H5	2.097	0.893	0.000
H6	-0.279	1.542	0.000
H7	-0.779	-1.540	0.000
H8	-1.791	-0.369	0.888
H9	-1.791	-0.369	-0.888

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5183	2.5416	2.8098	3.5374	2.2251	1.1005	1.1017	1.1017
C2	1.5183		1.3482	2.1368	2.1365	1.0945	2.1681	2.1731	2.1731
C3	2.5416	1.3482		1.0923	1.0901	2.1126	2.6789	3.2609	3.2609
H4	2.8098	2.1368	1.0923		1.8517	3.0984	2.4920	3.5728	3.5728
H5	3.5374	2.1365	1.0901	1.8517		2.4633	3.7667	4.1827	4.1827
H6	2.2251	1.0945	2.1126	3.0984	2.4633		3.1218	2.5934	2.5934
H7	1.1005	2.1681	2.6789	2.4920	3.7667	3.1218		1.7837	1.7837
H8	1.1017	2.1731	3.2609	3.5728	4.1827	2.5934	1.7837		1.7759
H9	1.1017	2.1731	3.2609	3.5728	4.1827	2.5934	1.7837	1.7759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.807	C1	C2	H6	115.823
C2	C1	H7	110.751	C2	C1	H8	111.087
C2	C1	H9	111.087	C2	C3	H4	121.873
C2	C3	H5	122.026	C3	C2	H6	119.370
H4	C3	H5	116.100	H7	C1	H8	108.182
H7	C1	H9	108.182	H8	C1	H9	107.415

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)