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	hartrees
Energy at 0K	-118.895962
Energy at 298.15K
HF Energy	-118.315730
Nuclear repulsion energy	82.972695

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.591
C2	0.000	1.260	-0.260
C3	0.000	-1.260	-0.260
H4	0.873	0.000	1.244
H5	-0.873	0.000	1.244
H6	0.000	2.160	0.351
H7	0.000	-2.160	0.351
H8	0.879	1.291	-0.903
H9	-0.879	1.291	-0.903
H10	-0.879	-1.291	-0.903
H11	0.879	-1.291	-0.903

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5210	1.5210	1.0903	1.0903	2.1734	2.1734	2.1613	2.1613	2.1613	2.1613
C2	1.5210		2.5202	2.1480	2.1480	1.0880	3.4744	1.0892	1.0892	2.7735	2.7735
C3	1.5210	2.5202		2.1480	2.1480	3.4744	1.0880	2.7735	2.7735	1.0892	1.0892
H4	1.0903	2.1480	2.1480		1.7466	2.4952	2.4952	2.5050	3.0571	3.0571	2.5050
H5	1.0903	2.1480	2.1480	1.7466		2.4952	2.4952	3.0571	2.5050	2.5050	3.0571
H6	2.1734	1.0880	3.4744	2.4952	2.4952		4.3202	1.7608	1.7608	3.7753	3.7753
H7	2.1734	3.4744	1.0880	2.4952	2.4952	4.3202		3.7753	3.7753	1.7608	1.7608
H8	2.1613	1.0892	2.7735	2.5050	3.0571	1.7608	3.7753		1.7582	3.1234	2.5816
H9	2.1613	1.0892	2.7735	3.0571	2.5050	1.7608	3.7753	1.7582		2.5816	3.1234
H10	2.1613	2.7735	1.0892	3.0571	2.5050	3.7753	1.7608	3.1234	2.5816		1.7582
H11	2.1613	2.7735	1.0892	2.5050	3.0571	3.7753	1.7608	2.5816	3.1234	1.7582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.755	C1	C2	H8	110.710
C1	C2	H9	110.710	C1	C3	H7	111.755
C1	C3	H10	110.710	C1	C3	H11	110.710
C2	C1	C3	111.885	C2	C1	H4	109.588
C2	C1	H5	109.588	C3	C1	H4	109.588
C3	C1	H5	109.588	H4	C1	H5	106.456
H6	C2	H8	107.943	H6	C2	H9	107.943
H7	C3	H10	107.943	H7	C3	H11	107.943
H8	C2	H9	107.625	H10	C3	H11	107.625

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP2/aug-cc-pVQZ

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 C3H8 (Propane)

using model chemistry: MP2/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₃H₈ (Propane)