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	hartrees
Energy at 0K	-317.093683
Energy at 298.15K
HF Energy	-316.087650
Nuclear repulsion energy	187.727698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3141	3002
2	A	3083	2947
3	A	3057	2923
4	A	1537	1469
5	A	1473	1408
6	A	1465	1400
7	A	1326	1268
8	A	1263	1207
9	A	1138	1088
10	A	1015	970
11	A	880	842
12	A	547	523
13	A	247	236
14	A	83	79
15	B	3141	3003
16	B	3109	2973
17	B	3079	2944
18	B	1538	1471
19	B	1440	1377
20	B	1412	1350
21	B	1282	1226
22	B	1140	1089
23	B	1098	1050
24	B	972	930
25	B	786	752
26	B	417	399
27	B	193	185

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.983
C2	0.000	1.263	0.144
C3	0.000	-1.263	0.144
F4	1.164	1.309	-0.630
F5	-1.164	-1.309	-0.630
H6	0.886	-0.008	1.627
H7	-0.886	0.008	1.627
H8	-0.851	1.285	-0.540
H9	-0.012	2.155	0.774
H10	0.851	-1.285	-0.540
H11	0.012	-2.155	0.774

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5168	1.5168	2.3818	2.3818	1.0947	1.0947	2.1667	2.1653	2.1667	2.1653
C2	1.5168		2.5264	1.3986	2.9277	2.1447	2.1352	1.0915	1.0921	2.7720	3.4759
C3	1.5168	2.5264		2.9277	1.3986	2.1352	2.1447	2.7720	3.4759	1.0915	1.0921
F4	2.3818	1.3986	2.9277		3.5037	2.6281	3.3149	2.0170	2.0172	2.6146	3.9117
F5	2.3818	2.9277	1.3986	3.5037		3.3149	2.6281	2.6146	3.9117	2.0170	2.0172
H6	1.0947	2.1447	2.1352	2.6281	3.3149		1.7716	3.0627	2.4925	2.5147	2.4700
H7	1.0947	2.1352	2.1447	3.3149	2.6281	1.7716		2.5147	2.4700	3.0627	2.4925
H8	2.1667	1.0915	2.7720	2.0170	2.6146	3.0627	2.5147		1.7850	3.0823	3.7819
H9	2.1653	1.0921	3.4759	2.0172	3.9117	2.4925	2.4700	1.7850		3.7819	4.3103
H10	2.1667	2.7720	1.0915	2.6146	2.0170	2.5147	3.0627	3.0823	3.7819		1.7850
H11	2.1653	3.4759	1.0921	3.9117	2.0172	2.4700	2.4925	3.7819	4.3103	1.7850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.504	C1	C2	H8	111.291
C1	C2	H9	111.149	C1	C3	F5	109.504
C1	C3	H10	111.291	C1	C3	H11	111.149
C2	C1	C3	112.772	C2	C1	H6	109.358
C2	C1	H7	108.610	C3	C1	H6	108.610
C3	C1	H7	109.358	F4	C2	H8	107.559
F4	C2	H9	107.536	F5	C3	H10	107.559
F5	C3	H11	107.536	H6	C1	H7	108.026
H8	C2	H9	109.662	H10	C3	H11	109.662

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

using model chemistry: CCSD(T)=FULL/TZVP

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)=FULL/TZVP

States and conformations

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