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	hartrees
Energy at 0K	-317.247918
Energy at 298.15K
HF Energy	-316.102861
Nuclear repulsion energy	188.545147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3147	3147	25.90
2	A	3096	3096	3.61
3	A	3074	3074	6.17
4	A	1542	1542	0.40
5	A	1478	1478	9.86
6	A	1467	1467	6.54
7	A	1342	1342	0.87
8	A	1271	1271	0.62
9	A	1155	1155	27.01
10	A	1040	1040	38.32
11	A	895	895	0.07
12	A	541	541	3.40
13	A	247	247	3.92
14	A	82	82	4.06
15	B	3147	3147	23.56
16	B	3121	3121	21.60
17	B	3092	3092	50.84
18	B	1542	1542	3.76
19	B	1451	1451	13.79
20	B	1418	1418	2.08
21	B	1290	1290	6.86
22	B	1146	1146	12.67
23	B	1128	1128	111.68
24	B	983	983	21.30
25	B	799	799	2.63
26	B	424	424	7.95
27	B	186	186	9.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.967
C2	0.000	1.257	0.128
C3	0.000	-1.257	0.128
F4	1.174	1.324	-0.606
F5	-1.174	-1.324	-0.606
H6	0.881	-0.004	1.608
H7	-0.881	0.004	1.608
H8	-0.830	1.262	-0.573
H9	-0.049	2.145	0.753
H10	0.830	-1.262	-0.573
H11	0.049	-2.145	0.753

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5112	1.5112	2.3676	2.3676	1.0895	1.0895	2.1572	2.1564	2.1572	2.1564
C2	1.5112		2.5143	1.3863	2.9292	2.1349	2.1296	1.0866	1.0868	2.7435	3.4596
C3	1.5112	2.5143		2.9292	1.3863	2.1296	2.1349	2.7435	3.4596	1.0866	1.0868
F4	2.3676	1.3863	2.9292		3.5388	2.5991	3.2964	2.0046	2.0043	2.6091	3.8920
F5	2.3676	2.9292	1.3863	3.5388		3.2964	2.5991	2.6091	3.8920	2.0046	2.0043
H6	1.0895	2.1349	2.1296	2.5991	3.2964		1.7612	3.0478	2.4935	2.5188	2.4507
H7	1.0895	2.1296	2.1349	3.2964	2.5991	1.7612		2.5188	2.4507	3.0478	2.4935
H8	2.1572	1.0866	2.7435	2.0046	2.6091	3.0478	2.5188		1.7742	3.0206	3.7604
H9	2.1564	1.0868	3.4596	2.0043	3.8920	2.4935	2.4507	1.7742		3.7604	4.2915
H10	2.1572	2.7435	1.0866	2.6091	2.0046	2.5188	3.0478	3.0206	3.7604		1.7742
H11	2.1564	3.4596	1.0868	3.8920	2.0043	2.4507	2.4935	3.7604	4.2915	1.7742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.523	C1	C2	H8	111.229
C1	C2	H9	111.155	C1	C3	F5	109.523
C1	C3	H10	111.229	C1	C3	H11	111.155
C2	C1	C3	112.591	C2	C1	H6	109.277
C2	C1	H7	108.864	C3	C1	H6	108.864
C3	C1	H7	109.277	F4	C2	H8	107.699
F4	C2	H9	107.663	F5	C3	H10	107.699
F5	C3	H11	107.663	H6	C1	H7	107.857
H8	C2	H9	109.444	H10	C3	H11	109.444

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

using model chemistry: CCSD=FULL/Def2TZVPP

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=FULL/Def2TZVPP

States and conformations

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