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	hartrees
Energy at 0K	-117.731082
Energy at 298.15K
HF Energy	-117.116435
Nuclear repulsion energy	70.944845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3237	3117
2	A'	3172	3054
3	A'	3157	3040
4	A'	3120	3004
5	A'	3048	2935
6	A'	1703	1640
7	A'	1513	1456
8	A'	1463	1409
9	A'	1413	1361
10	A'	1328	1279
11	A'	1198	1153
12	A'	947	912
13	A'	937	903
14	A'	420	404
15	A"	3099	2984
16	A"	1499	1444
17	A"	1078	1038
18	A"	1032	994
19	A"	947	912
20	A"	597	575
21	A"	210	202

Atom	x (Å)	y (Å)	z (Å)
C1	-1.137	-0.493	0.000
C2	0.000	0.478	0.000
C3	1.289	0.135	0.000
H4	1.591	-0.902	0.000
H5	2.069	0.880	0.000
H6	-0.259	1.527	0.000
H7	-0.775	-1.519	0.000
H8	-1.770	-0.353	0.876
H9	-1.770	-0.353	-0.876

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4951	2.5061	2.7580	3.4876	2.2029	1.0881	1.0899	1.0899
C2	1.4951		1.3339	2.1057	2.1077	1.0813	2.1421	2.1422	2.1422
C3	2.5061	1.3339		1.0803	1.0785	2.0824	2.6453	3.2190	3.2190
H4	2.7580	2.1057	1.0803		1.8455	3.0537	2.4447	3.5158	3.5158
H5	3.4876	2.1077	1.0785	1.8455		2.4165	3.7209	4.1258	4.1258
H6	2.2029	1.0813	2.0824	3.0537	2.4165		3.0900	2.5658	2.5658
H7	1.0881	2.1421	2.6453	2.4447	3.7209	3.0900		1.7659	1.7659
H8	1.0899	2.1422	3.2190	3.5158	4.1258	2.5658	1.7659		1.7525
H9	1.0899	2.1422	3.2190	3.5158	4.1258	2.5658	1.7659	1.7525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.623	C1	C2	H6	116.617
C2	C1	H7	111.064	C2	C1	H8	110.960
C2	C1	H9	110.960	C2	C3	H4	121.085
C2	C3	H5	121.421	C3	C2	H6	118.760
H4	C3	H5	117.494	H7	C1	H8	108.344
H7	C1	H9	108.344	H8	C1	H9	107.022

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP4=FULL/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: MP4=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)