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	hartrees
Energy at 0K	-317.027351
Energy at 298.15K
HF Energy	-316.087985
Nuclear repulsion energy	188.125867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3190	3040	23.39	45.21	0.74	0.85
2	A	3124	2976	3.43	226.44	0.01	0.03
3	A	3100	2953	6.56	82.78	0.16	0.27
4	A	1547	1474	0.65	11.34	0.74	0.85
5	A	1480	1410	19.11	4.03	0.58	0.73
6	A	1474	1404	0.38	3.46	0.72	0.83
7	A	1340	1277	0.50	19.32	0.71	0.83
8	A	1272	1212	1.01	6.74	0.62	0.76
9	A	1148	1093	20.58	2.08	0.75	0.86
10	A	1024	976	47.99	4.70	0.69	0.81
11	A	894	852	0.33	9.54	0.10	0.17
12	A	552	526	4.11	0.68	0.71	0.83
13	A	250	238	4.15	0.36	0.20	0.33
14	A	86	82	4.37	0.05	0.70	0.82
15	B	3191	3040	21.70	37.08	0.75	0.86
16	B	3160	3010	16.37	66.79	0.75	0.86
17	B	3121	2974	56.60	38.50	0.75	0.86
18	B	1549	1475	3.41	0.01	0.75	0.86
19	B	1449	1381	15.82	0.81	0.75	0.86
20	B	1422	1354	3.44	0.99	0.75	0.86
21	B	1293	1232	6.27	0.89	0.75	0.86
22	B	1150	1096	10.55	0.91	0.75	0.86
23	B	1107	1055	99.73	3.69	0.75	0.86
24	B	982	935	32.71	3.32	0.75	0.86
25	B	794	756	3.26	0.96	0.75	0.86
26	B	424	404	8.48	0.45	0.75	0.86
27	B	197	188	10.87	0.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.977
C2	0.000	1.258	0.142
C3	0.000	-1.258	0.142
F4	1.166	1.311	-0.626
F5	-1.166	-1.311	-0.626
H6	0.883	-0.008	1.619
H7	-0.883	0.008	1.619
H8	-0.845	1.278	-0.543
H9	-0.018	2.147	0.771
H10	0.845	-1.278	-0.543
H11	0.018	-2.147	0.771

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5101	1.5101	2.3767	2.3767	1.0915	1.0915	2.1585	2.1570	2.1585	2.1570
C2	1.5101		2.5165	1.3976	2.9242	2.1362	2.1271	1.0884	1.0890	2.7597	3.4629
C3	1.5101	2.5165		2.9242	1.3976	2.1271	2.1362	2.7597	3.4629	1.0884	1.0890
F4	2.3767	1.3976	2.9242		3.5094	2.6191	3.3072	2.0136	2.0131	2.6099	3.9024
F5	2.3767	2.9242	1.3976	3.5094		3.3072	2.6191	2.6099	3.9024	2.0136	2.0131
H6	1.0915	2.1362	2.1271	2.6191	3.3072		1.7652	3.0520	2.4846	2.5083	2.4586
H7	1.0915	2.1271	2.1362	3.3072	2.6191	1.7652		2.5083	2.4586	3.0520	2.4846
H8	2.1585	1.0884	2.7597	2.0136	2.6099	3.0520	2.5083		1.7798	3.0642	3.7686
H9	2.1570	1.0890	3.4629	2.0131	3.9024	2.4846	2.4586	1.7798		3.7686	4.2943
H10	2.1585	2.7597	1.0884	2.6099	2.0136	2.5083	3.0520	3.0642	3.7686		1.7798
H11	2.1570	3.4629	1.0890	3.9024	2.0131	2.4586	2.4846	3.7686	4.2943	1.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.587	C1	C2	H8	111.305
C1	C2	H9	111.148	C1	C3	F5	109.587
C1	C3	H10	111.305	C1	C3	H11	111.148
C2	C1	C3	112.860	C2	C1	H6	109.342
C2	C1	H7	108.625	C3	C1	H6	108.625
C3	C1	H7	109.342	F4	C2	H8	107.537
F4	C2	H9	107.462	F5	C3	H10	107.537
F5	C3	H11	107.462	H6	C1	H7	107.930
H8	C2	H9	109.660	H10	C3	H11	109.660

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

using model chemistry: MP2=FULL/TZVP

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: MP2=FULL/TZVP

States and conformations

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