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	hartrees
Energy at 0K	-316.969056
Energy at 298.15K
HF Energy	-316.087791
Nuclear repulsion energy	189.617635

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.959
C2	0.000	1.253	0.125
C3	0.000	-1.253	0.125
F4	1.165	1.324	-0.599
F5	-1.165	-1.324	-0.599
H6	0.875	-0.004	1.598
H7	-0.875	0.004	1.598
H8	-0.824	1.258	-0.574
H9	-0.055	2.135	0.747
H10	0.824	-1.258	-0.574
H11	0.055	-2.135	0.747

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5056	1.5056	2.3532	2.3532	1.0832	1.0832	2.1473	2.1466	2.1473	2.1466
C2	1.5056		2.5068	1.3733	2.9196	2.1249	2.1206	1.0804	1.0807	2.7338	3.4459
C3	1.5056	2.5068		2.9196	1.3733	2.1206	2.1249	2.7338	3.4459	1.0804	1.0807
F4	2.3532	1.3733	2.9196		3.5267	2.5836	3.2757	1.9899	1.9897	2.6043	3.8744
F5	2.3532	2.9196	1.3733	3.5267		3.2757	2.5836	2.6043	3.8744	1.9899	1.9897
H6	1.0832	2.1249	2.1206	2.5836	3.2757		1.7493	3.0322	2.4827	2.5086	2.4372
H7	1.0832	2.1206	2.1249	3.2757	2.5836	1.7493		2.5086	2.4372	3.0322	2.4827
H8	2.1473	1.0804	2.7338	1.9899	2.6043	3.0322	2.5086		1.7626	3.0074	3.7459
H9	2.1466	1.0807	3.4459	1.9897	3.8744	2.4827	2.4372	1.7626		3.7459	4.2721
H10	2.1473	2.7338	1.0804	2.6043	1.9899	2.5086	3.0322	3.0074	3.7459		1.7626
H11	2.1466	3.4459	1.0807	3.8744	1.9897	2.4372	2.4827	3.7459	4.2721	1.7626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.567	C1	C2	H8	111.208
C1	C2	H9	111.126	C1	C3	F5	109.567
C1	C3	H10	111.208	C1	C3	H11	111.126
C2	C1	C3	112.715	C2	C1	H6	109.246
C2	C1	H7	108.905	C3	C1	H6	108.905
C3	C1	H7	109.246	F4	C2	H8	107.788
F4	C2	H9	107.745	F5	C3	H10	107.788
F5	C3	H11	107.745	H6	C1	H7	107.698
H8	C2	H9	109.286	H10	C3	H11	109.286

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

using model chemistry: CISD/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: CISD/cc-pVTZ

States and conformations

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