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	hartrees
Energy at 0K	-117.690133
Energy at 298.15K
HF Energy	-117.116890
Nuclear repulsion energy	70.628836

Atom	x (Å)	y (Å)	z (Å)
C1	-1.142	-0.495	0.000
C2	0.000	0.481	0.000
C3	1.294	0.134	0.000
H4	1.594	-0.909	0.000
H5	2.079	0.881	0.000
H6	-0.258	1.538	0.000
H7	-0.776	-1.524	0.000
H8	-1.776	-0.353	0.880
H9	-1.776	-0.353	-0.880

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5017	2.5154	2.7673	3.5019	2.2159	1.0925	1.0942	1.0942
C2	1.5017		1.3395	2.1152	2.1168	1.0879	2.1502	2.1505	2.1505
C3	2.5154	1.3395		1.0857	1.0836	2.0927	2.6525	3.2306	3.2306
H4	2.7673	2.1152	1.0857		1.8548	3.0691	2.4492	3.5276	3.5276
H5	3.5019	2.1168	1.0836	1.8548		2.4274	3.7333	4.1421	4.1421
H6	2.2159	1.0879	2.0927	3.0691	2.4274		3.1053	2.5792	2.5792
H7	1.0925	2.1502	2.6525	2.4492	3.7333	3.1053		1.7737	1.7737
H8	1.0942	2.1505	3.2306	3.5276	4.1421	2.5792	1.7737		1.7603
H9	1.0942	2.1505	3.2306	3.5276	4.1421	2.5792	1.7737	1.7603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.487	C1	C2	H6	116.770
C2	C1	H7	110.975	C2	C1	H8	110.901
C2	C1	H9	110.901	C2	C3	H4	121.069
C2	C3	H5	121.400	C3	C2	H6	118.743
H4	C3	H5	117.531	H7	C1	H8	108.413
H7	C1	H9	108.413	H8	C1	H9	107.105

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP4/aug-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/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)