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	hartrees
Energy at 0K	-316.924735
Energy at 298.15K
HF Energy	-316.005653
Nuclear repulsion energy	185.949653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3126	3009
2	A	3065	2950
3	A	3032	2918
4	A	1495	1439
5	A	1438	1384
6	A	1412	1359
7	A	1293	1245
8	A	1221	1175
9	A	1108	1067
10	A	983	946
11	A	874	841
12	A	525	505
13	A	240	231
14	A	82	79
15	B	3125	3007
16	B	3087	2971
17	B	3062	2947
18	B	1494	1438
19	B	1401	1349
20	B	1369	1317
21	B	1236	1190
22	B	1119	1077
23	B	1065	1025
24	B	942	907
25	B	769	741
26	B	407	392
27	B	182	175

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.986
C2	0.000	1.268	0.137
C3	0.000	-1.268	0.137
F4	1.198	1.318	-0.621
F5	-1.198	-1.318	-0.621
H6	0.895	-0.007	1.636
H7	-0.895	0.007	1.636
H8	-0.838	1.277	-0.581
H9	-0.027	2.178	0.761
H10	0.838	-1.277	-0.581
H11	0.027	-2.178	0.761

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5258	1.5258	2.3993	2.3993	1.1069	1.1069	2.1882	2.1893	2.1882	2.1893
C2	1.5258		2.5352	1.4188	2.9490	2.1626	2.1540	1.1033	1.1038	2.7738	3.5013
C3	1.5258	2.5352		2.9490	1.4188	2.1540	2.1626	2.7738	3.5013	1.1033	1.1038
F4	2.3993	1.4188	2.9490		3.5629	2.6355	3.3466	2.0374	2.0373	2.6206	3.9372
F5	2.3993	2.9490	1.4188	3.5629		3.3466	2.6355	2.6206	3.9372	2.0374	2.0373
H6	1.1069	2.1626	2.1540	2.6355	3.3466		1.7910	3.0938	2.5281	2.5558	2.4961
H7	1.1069	2.1540	2.1626	3.3466	2.6355	1.7910		2.5558	2.4961	3.0938	2.5281
H8	2.1882	1.1033	2.7738	2.0374	2.6206	3.0938	2.5558		1.8077	3.0556	3.8058
H9	2.1893	1.1038	3.5013	2.0373	3.9372	2.5281	2.4961	1.8077		3.8058	4.3554
H10	2.1882	2.7738	1.1033	2.6206	2.0374	2.5558	3.0938	3.0556	3.8058		1.8077
H11	2.1893	3.5013	1.1038	3.9372	2.0373	2.4961	2.5281	3.8058	4.3554	1.8077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.083	C1	C2	H8	111.661
C1	C2	H9	111.722	C1	C3	F5	109.083
C1	C3	H10	111.661	C1	C3	H11	111.722
C2	C1	C3	112.361	C2	C1	H6	109.426
C2	C1	H7	108.766	C3	C1	H6	108.766
C3	C1	H7	109.426	F4	C2	H8	107.105
F4	C2	H9	107.074	F5	C3	H10	107.105
F5	C3	H11	107.074	H6	C1	H7	108.002
H8	C2	H9	109.977	H10	C3	H11	109.977

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

using model chemistry: CCSD(T)/aug-cc-pVDZ

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)/aug-cc-pVDZ

States and conformations

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