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	hartrees
Energy at 0K	-316.852186
Energy at 298.15K
HF Energy	-315.981486
Nuclear repulsion energy	187.596534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3135	3020
2	A	3077	2963
3	A	3060	2947
4	A	1506	1451
5	A	1452	1399
6	A	1438	1385
7	A	1308	1260
8	A	1241	1196
9	A	1132	1090
10	A	1019	982
11	A	889	856
12	A	535	515
13	A	246	237
14	A	84	81
15	B	3137	3022
16	B	3117	3002
17	B	3072	2959
18	B	1510	1455
19	B	1425	1372
20	B	1385	1335
21	B	1260	1213
22	B	1131	1089
23	B	1109	1068
24	B	968	932
25	B	780	752
26	B	413	398
27	B	196	189

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.993
C2	0.000	1.260	0.138
C3	0.000	-1.260	0.138
F4	1.167	1.293	-0.629
F5	-1.167	-1.293	-0.629
H6	0.895	-0.003	1.644
H7	-0.895	0.003	1.644
H8	-0.863	1.260	-0.551
H9	-0.028	2.171	0.763
H10	0.863	-1.260	-0.551
H11	0.028	-2.171	0.763

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5231	1.5231	2.3799	2.3799	1.1067	1.1067	2.1723	2.1834	2.1723	2.1834
C2	1.5231		2.5204	1.3964	2.9101	2.1603	2.1564	1.1046	1.1052	2.7521	3.4878
C3	1.5231	2.5204		2.9101	1.3964	2.1564	2.1603	2.7521	3.4878	1.1046	1.1052
F4	2.3799	1.3964	2.9101		3.4836	2.6308	3.3287	2.0320	2.0334	2.5728	3.9032
F5	2.3799	2.9101	1.3964	3.4836		3.3287	2.6308	2.5728	3.9032	2.0320	2.0334
H6	1.1067	2.1603	2.1564	2.6308	3.3287		1.7898	3.0836	2.5211	2.5300	2.4954
H7	1.1067	2.1564	2.1603	3.3287	2.6308	1.7898		2.5300	2.4954	3.0836	2.5211
H8	2.1723	1.1046	2.7521	2.0320	2.5728	3.0836	2.5300		1.8039	3.0558	3.7811
H9	2.1834	1.1052	3.4878	2.0334	3.9032	2.5211	2.4954	1.8039		3.7811	4.3424
H10	2.1723	2.7521	1.1046	2.5728	2.0320	2.5300	3.0836	3.0558	3.7811		1.8039
H11	2.1834	3.4878	1.1052	3.9032	2.0334	2.4954	2.5211	3.7811	4.3424	1.8039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.137	C1	C2	H8	110.516
C1	C2	H9	111.356	C1	C3	F5	109.137
C1	C3	H10	110.516	C1	C3	H11	111.356
C2	C1	C3	111.665	C2	C1	H6	109.444
C2	C1	H7	109.145	C3	C1	H6	109.145
C3	C1	H7	109.444	F4	C2	H8	108.116
F4	C2	H9	108.189	F5	C3	H10	108.116
F5	C3	H11	108.189	H6	C1	H7	107.920
H8	C2	H9	109.440	H10	C3	H11	109.440

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

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

States and conformations

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