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	hartrees
Energy at 0K	-317.173141
Energy at 298.15K
HF Energy	-316.086666
Nuclear repulsion energy	188.153424

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.974
C2	0.000	1.258	0.129
C3	0.000	-1.258	0.129
F4	1.178	1.316	-0.610
F5	-1.178	-1.316	-0.610
H6	0.884	-0.004	1.618
H7	-0.884	0.004	1.618
H8	-0.835	1.256	-0.574
H9	-0.048	2.153	0.750
H10	0.835	-1.256	-0.574
H11	0.048	-2.153	0.750

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5156	1.5156	2.3725	2.3725	1.0935	1.0935	2.1615	2.1652	2.1615	2.1652
C2	1.5156		2.5154	1.3915	2.9249	2.1427	2.1382	1.0910	1.0911	2.7404	3.4673
C3	1.5156	2.5154		2.9249	1.3915	2.1382	2.1427	2.7404	3.4673	1.0910	1.0911
F4	2.3725	1.3915	2.9249		3.5315	2.6062	3.3070	2.0134	2.0137	2.5949	3.8935
F5	2.3725	2.9249	1.3915	3.5315		3.3070	2.6062	2.5949	3.8935	2.0134	2.0137
H6	1.0935	2.1427	2.1382	2.6062	3.3070		1.7679	3.0571	2.5047	2.5251	2.4639
H7	1.0935	2.1382	2.1427	3.3070	2.6062	1.7679		2.5251	2.4639	3.0571	2.5047
H8	2.1615	1.0910	2.7404	2.0134	2.5949	3.0571	2.5251		1.7824	3.0163	3.7625
H9	2.1652	1.0911	3.4673	2.0137	3.8935	2.5047	2.4639	1.7824		3.7625	4.3072
H10	2.1615	2.7404	1.0910	2.5949	2.0134	2.5251	3.0571	3.0163	3.7625		1.7824
H11	2.1652	3.4673	1.0911	3.8935	2.0137	2.4639	2.5047	3.7625	4.3072	1.7824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.320	C1	C2	H8	110.996
C1	C2	H9	111.287	C1	C3	F5	109.320
C1	C3	H10	110.996	C1	C3	H11	111.287
C2	C1	C3	112.164	C2	C1	H6	109.353
C2	C1	H7	109.000	C3	C1	H6	109.000
C3	C1	H7	109.353	F4	C2	H8	107.785
F4	C2	H9	107.797	F5	C3	H10	107.785
F5	C3	H11	107.797	H6	C1	H7	107.875
H8	C2	H9	109.537	H10	C3	H11	109.537

All results from a given calculation for CH₂FCH₂CH₂F (1,3-difluoropropane)

using model chemistry: CCSD(T)/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 CH2FCH2CH2F (1,3-difluoropropane)

using model chemistry: CCSD(T)/cc-pVTZ

States and conformations

All results from a given calculation for CH₂FCH₂CH₂F (1,3-difluoropropane)