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	hartrees
Energy at 0K	-118.728199
Energy at 298.15K
HF Energy	-118.262836
Nuclear repulsion energy	82.348147

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.589
C2	0.000	1.272	-0.261
C3	0.000	-1.272	-0.261
H4	0.880	0.000	1.249
H5	-0.880	0.000	1.249
H6	0.000	2.174	0.365
H7	0.000	-2.174	0.365
H8	0.887	1.310	-0.908
H9	-0.887	1.310	-0.908
H10	-0.887	-1.310	-0.908
H11	0.887	-1.310	-0.908

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5294	1.5294	1.1002	1.1002	2.1853	2.1853	2.1778	2.1778	2.1778	2.1778
C2	1.5294		2.5432	2.1614	2.1614	1.0978	3.5017	1.0986	1.0986	2.8052	2.8052
C3	1.5294	2.5432		2.1614	2.1614	3.5017	1.0978	2.8052	2.8052	1.0986	1.0986
H4	1.1002	2.1614	2.1614		1.7603	2.5065	2.5065	2.5236	3.0808	3.0808	2.5236
H5	1.1002	2.1614	2.1614	1.7603		2.5065	2.5065	3.0808	2.5236	2.5236	3.0808
H6	2.1853	1.0978	3.5017	2.5065	2.5065		4.3476	1.7755	1.7755	3.8133	3.8133
H7	2.1853	3.5017	1.0978	2.5065	2.5065	4.3476		3.8133	3.8133	1.7755	1.7755
H8	2.1778	1.0986	2.8052	2.5236	3.0808	1.7755	3.8133		1.7739	3.1637	2.6197
H9	2.1778	1.0986	2.8052	3.0808	2.5236	1.7755	3.8133	1.7739		2.6197	3.1637
H10	2.1778	2.8052	1.0986	3.0808	2.5236	3.8133	1.7755	3.1637	2.6197		1.7739
H11	2.1778	2.8052	1.0986	2.5236	3.0808	3.8133	1.7755	2.6197	3.1637	1.7739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.514	C1	C2	H8	110.867
C1	C2	H9	110.867	C1	C3	H7	111.514
C1	C3	H10	110.867	C1	C3	H11	110.867
C2	C1	C3	112.492	C2	C1	H4	109.476
C2	C1	H5	109.476	C3	C1	H4	109.476
C3	C1	H5	109.476	H4	C1	H5	106.252
H6	C2	H8	107.879	H6	C2	H9	107.879
H7	C3	H10	107.879	H7	C3	H11	107.879
H8	C2	H9	107.679	H10	C3	H11	107.679

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP4=FULL/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 C3H8 (Propane)

using model chemistry: MP4=FULL/6-31G*

States and conformations

All results from a given calculation for C₃H₈ (Propane)