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	hartrees
Energy at 0K	-316.336323
Energy at 298.15K
HF Energy	-315.864894
Nuclear repulsion energy	185.794307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3237	3027	24.71
2	A	3173	2967	1.69
3	A	3125	2922	9.27
4	A	1614	1509	0.50
5	A	1572	1470	7.40
6	A	1499	1402	9.16
7	A	1369	1281	0.22
8	A	1274	1192	1.20
9	A	1164	1089	8.41
10	A	1017	951	40.52
11	A	907	848	0.63
12	A	557	521	4.26
13	A	257	240	7.38
14	A	89	83	6.47
15	B	3236	3026	21.59
16	B	3177	2971	45.14
17	B	3163	2958	23.61
18	B	1615	1510	3.29
19	B	1492	1395	2.81
20	B	1470	1374	13.68
21	B	1277	1194	7.41
22	B	1186	1110	11.51
23	B	1128	1055	47.43
24	B	995	930	44.09
25	B	826	772	4.93
26	B	417	390	10.99
27	B	194	182	17.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.997
C2	0.000	1.263	0.149
C3	0.000	-1.263	0.149
F4	1.215	1.278	-0.637
F5	-1.215	-1.278	-0.637
H6	0.884	-0.003	1.643
H7	-0.884	0.003	1.643
H8	-0.833	1.278	-0.553
H9	0.002	2.169	0.756
H10	0.833	-1.278	-0.553
H11	-0.002	-2.169	0.756

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5222	1.5222	2.4042	2.4042	1.0950	1.0950	2.1747	2.1821	2.1747	2.1821
C2	1.5222		2.5270	1.4469	2.9244	2.1496	2.1456	1.0889	1.0901	2.7646	3.4855
C3	1.5222	2.5270		2.9244	1.4469	2.1456	2.1496	2.7646	3.4855	1.0889	1.0901
F4	2.4042	1.4469	2.9244		3.5269	2.6360	3.3511	2.0499	2.0507	2.5854	3.9114
F5	2.4042	2.9244	1.4469	3.5269		3.3511	2.6360	2.5854	3.9114	2.0499	2.0507
H6	1.0950	2.1496	2.1456	2.6360	3.3511		1.7687	3.0678	2.5067	2.5393	2.5023
H7	1.0950	2.1456	2.1496	3.3511	2.6360	1.7687		2.5393	2.5023	3.0678	2.5067
H8	2.1747	1.0889	2.7646	2.0499	2.5854	3.0678	2.5393		1.7897	3.0504	3.7790
H9	2.1821	1.0901	3.4855	2.0507	3.9114	2.5067	2.5023	1.7897		3.7790	4.3374
H10	2.1747	2.7646	1.0889	2.5854	2.0499	2.5393	3.0678	3.0504	3.7790		1.7897
H11	2.1821	3.4855	1.0901	3.9114	2.0507	2.5023	2.5067	3.7790	4.3374	1.7897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.112	C1	C2	H8	111.714
C1	C2	H9	112.247	C1	C3	F5	108.112
C1	C3	H10	111.714	C1	C3	H11	112.247
C2	C1	C3	112.210	C2	C1	H6	109.352
C2	C1	H7	109.045	C3	C1	H6	109.045
C3	C1	H7	109.352	F4	C2	H8	107.026
F4	C2	H9	107.020	F5	C3	H10	107.026
F5	C3	H11	107.020	H6	C1	H7	107.732
H8	C2	H9	110.442	H10	C3	H11	110.442

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

using model chemistry: CID/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: CID/6-31G

States and conformations

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