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	hartrees
Energy at 0K	-316.981031
Energy at 298.15K
HF Energy	-316.103328
Nuclear repulsion energy	189.477033

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3253	3253	27.81
2	A	3200	3200	3.85
3	A	3173	3173	6.79
4	A	1597	1597	0.43
5	A	1533	1533	11.13
6	A	1520	1520	6.91
7	A	1387	1387	1.43
8	A	1313	1313	0.68
9	A	1198	1198	31.43
10	A	1080	1080	41.83
11	A	919	919	0.06
12	A	559	559	3.62
13	A	254	254	4.21
14	A	86	86	4.40
15	B	3253	3253	25.09
16	B	3222	3222	27.11
17	B	3196	3196	50.51
18	B	1597	1597	3.85
19	B	1506	1506	15.87
20	B	1469	1469	2.51
21	B	1336	1336	7.47
22	B	1185	1185	33.76
23	B	1170	1170	111.68
24	B	1017	1017	21.88
25	B	828	828	3.09
26	B	438	438	8.53
27	B	191	191	10.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.958
C2	0.000	1.255	0.126
C3	0.000	-1.255	0.126
F4	1.165	1.328	-0.600
F5	-1.165	-1.328	-0.600
H6	0.875	-0.005	1.597
H7	-0.875	0.005	1.597
H8	-0.824	1.263	-0.573
H9	-0.052	2.135	0.750
H10	0.824	-1.263	-0.573
H11	0.052	-2.135	0.750

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5057	1.5057	2.3555	2.3555	1.0831	1.0831	2.1487	2.1462	2.1487	2.1462
C2	1.5057		2.5095	1.3745	2.9245	2.1250	2.1194	1.0801	1.0805	2.7394	3.4475
C3	1.5057	2.5095		2.9245	1.3745	2.1194	2.1250	2.7394	3.4475	1.0801	1.0805
F4	2.3555	1.3745	2.9245		3.5322	2.5860	3.2768	1.9896	1.9891	2.6128	3.8797
F5	2.3555	2.9245	1.3745	3.5322		3.2768	2.5860	2.6128	3.8797	1.9896	1.9891
H6	1.0831	2.1250	2.1194	2.5860	3.2768		1.7496	3.0330	2.4814	2.5086	2.4359
H7	1.0831	2.1194	2.1250	3.2768	2.5860	1.7496		2.5086	2.4359	3.0330	2.4814
H8	2.1487	1.0801	2.7394	1.9896	2.6128	3.0330	2.5086		1.7623	3.0152	3.7502
H9	2.1462	1.0805	3.4475	1.9891	3.8797	2.4814	2.4359	1.7623		3.7502	4.2720
H10	2.1487	2.7394	1.0801	2.6128	1.9896	2.5086	3.0330	3.0152	3.7502		1.7623
H11	2.1462	3.4475	1.0805	3.8797	1.9891	2.4359	2.4814	3.7502	4.2720	1.7623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.649	C1	C2	H8	111.328
C1	C2	H9	111.098	C1	C3	F5	109.649
C1	C3	H10	111.328	C1	C3	H11	111.098
C2	C1	C3	112.882	C2	C1	H6	109.245
C2	C1	H7	108.805	C3	C1	H6	108.805
C3	C1	H7	109.245	F4	C2	H8	107.697
F4	C2	H9	107.638	F5	C3	H10	107.697
F5	C3	H11	107.638	H6	C1	H7	107.730
H8	C2	H9	109.301	H10	C3	H11	109.301

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

using model chemistry: CISD/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: CISD/Def2TZVPP

States and conformations

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