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	hartrees
Energy at 0K	-117.657526
Energy at 298.15K
HF Energy	-117.116562
Nuclear repulsion energy	70.916161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3275	3094	14.93
2	A'	3198	3021	10.96
3	A'	3183	3007	13.10
4	A'	3157	2983	12.01
5	A'	3072	2902	19.74
6	A'	1744	1647	10.03
7	A'	1517	1434	13.00
8	A'	1475	1393	0.95
9	A'	1426	1347	1.62
10	A'	1342	1268	0.20
11	A'	1208	1141	0.18
12	A'	955	902	3.34
13	A'	945	893	1.80
14	A'	425	401	0.91
15	A"	3134	2960	17.60
16	A"	1503	1420	6.26
17	A"	1085	1025	3.43
18	A"	1039	982	12.56
19	A"	956	903	41.83
20	A"	597	564	11.11
21	A"	203	192	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	-1.135	-0.501	0.000
C2	0.000	0.479	0.000
C3	1.287	0.143	0.000
H4	1.595	-0.894	0.000
H5	2.064	0.891	0.000
H6	-0.266	1.529	0.000
H7	-0.767	-1.525	0.000
H8	-1.769	-0.364	0.876
H9	-1.769	-0.364	-0.876

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4994	2.5057	2.7584	3.4891	2.2079	1.0881	1.0901	1.0901
C2	1.4994		1.3300	2.1047	2.1052	1.0832	2.1452	2.1463	2.1463
C3	2.5057	1.3300		1.0815	1.0795	2.0816	2.6448	3.2187	3.2187
H4	2.7584	2.1047	1.0815		1.8458	3.0553	2.4444	3.5163	3.5163
H5	3.4891	2.1052	1.0795	1.8458		2.4162	3.7215	4.1274	4.1274
H6	2.2079	1.0832	2.0816	3.0553	2.4162		3.0943	2.5709	2.5709
H7	1.0881	2.1452	2.6448	2.4444	3.7215	3.0943		1.7661	1.7661
H8	1.0901	2.1463	3.2187	3.5163	4.1274	2.5709	1.7661		1.7528
H9	1.0901	2.1463	3.2187	3.5163	4.1274	2.5709	1.7661	1.7528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.545	C1	C2	H6	116.584
C2	C1	H7	111.007	C2	C1	H8	110.981
C2	C1	H9	110.981	C2	C3	H4	121.227
C2	C3	H5	121.441	C3	C2	H6	118.871
H4	C3	H5	117.332	H7	C1	H8	108.352
H7	C1	H9	108.352	H8	C1	H9	107.024

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP3/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)