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	hartrees
Energy at 0K	-316.798253
Energy at 298.15K
HF Energy	-315.969817
Nuclear repulsion energy	188.580364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3179	3015
2	A	3118	2957
3	A	3101	2941
4	A	1568	1488
5	A	1515	1437
6	A	1475	1399
7	A	1335	1266
8	A	1266	1201
9	A	1147	1088
10	A	1034	981
11	A	900	854
12	A	555	526
13	A	251	238
14	A	87	82
15	B	3180	3017
16	B	3155	2993
17	B	3114	2954
18	B	1571	1490
19	B	1453	1378
20	B	1426	1353
21	B	1278	1212
22	B	1158	1098
23	B	1120	1063
24	B	988	937
25	B	796	755
26	B	417	396
27	B	205	195

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.005
C2	0.000	1.254	0.151
C3	0.000	-1.254	0.151
F4	1.153	1.254	-0.647
F5	-1.153	-1.254	-0.647
H6	0.884	-0.004	1.649
H7	-0.884	0.004	1.649
H8	-0.868	1.272	-0.510
H9	0.012	2.158	0.764
H10	0.868	-1.272	-0.510
H11	-0.012	-2.158	0.764

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5172	1.5172	2.3728	2.3728	1.0938	1.0938	2.1602	2.1716	2.1602	2.1716
C2	1.5172		2.5082	1.4019	2.8734	2.1464	2.1422	1.0911	1.0923	2.7517	3.4669
C3	1.5172	2.5082		2.8734	1.4019	2.1422	2.1464	2.7517	3.4669	1.0911	1.0923
F4	2.3728	1.4019	2.8734		3.4069	2.6313	3.3140	2.0253	2.0272	2.5459	3.8717
F5	2.3728	2.8734	1.4019	3.4069		3.3140	2.6313	2.5459	3.8717	2.0253	2.0272
H6	1.0938	2.1464	2.1422	2.6313	3.3140		1.7686	3.0590	2.4935	2.5039	2.4955
H7	1.0938	2.1422	2.1464	3.3140	2.6313	1.7686		2.5039	2.4955	3.0590	2.4935
H8	2.1602	1.0911	2.7517	2.0253	2.5459	3.0590	2.5039		1.7837	3.0799	3.7580
H9	2.1716	1.0923	3.4669	2.0272	3.8717	2.4935	2.4955	1.7837		3.7580	4.3163
H10	2.1602	2.7517	1.0911	2.5459	2.0253	2.5039	3.0590	3.0799	3.7580		1.7837
H11	2.1716	3.4669	1.0923	3.8717	2.0272	2.4955	2.4935	3.7580	4.3163	1.7837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.686	C1	C2	H8	110.769
C1	C2	H9	111.607	C1	C3	F5	108.686
C1	C3	H10	110.769	C1	C3	H11	111.607
C2	C1	C3	111.495	C2	C1	H6	109.510
C2	C1	H7	109.181	C3	C1	H6	109.181
C3	C1	H7	109.510	F4	C2	H8	108.016
F4	C2	H9	108.094	F5	C3	H10	108.016
F5	C3	H11	108.094	H6	C1	H7	107.891
H8	C2	H9	109.560	H10	C3	H11	109.560

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

using model chemistry: CCSD(T)/6-31G**

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)/6-31G**

States and conformations

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