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	hartrees
Energy at 0K	-316.892114
Energy at 298.15K
HF Energy	-316.006742
Nuclear repulsion energy	186.444557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3151	3040	23.33
2	A	3091	2982	3.70
3	A	3060	2951	8.95
4	A	1512	1458	0.17
5	A	1457	1405	9.32
6	A	1436	1385	6.87
7	A	1311	1265	0.95
8	A	1241	1197	0.87
9	A	1130	1090	24.30
10	A	1012	976	43.05
11	A	886	855	0.68
12	A	532	513	3.53
13	A	243	235	4.58
14	A	84	81	4.30
15	B	3150	3039	21.11
16	B	3115	3004	26.12
17	B	3088	2979	48.57
18	B	1512	1458	3.09
19	B	1426	1375	13.04
20	B	1390	1341	3.28
21	B	1258	1213	6.77
22	B	1133	1093	7.67
23	B	1098	1059	109.30
24	B	963	929	30.52
25	B	783	755	3.36
26	B	415	400	8.70
27	B	185	178	10.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.980
C2	0.000	1.268	0.134
C3	0.000	-1.268	0.134
F4	1.190	1.325	-0.618
F5	-1.190	-1.325	-0.618
H6	0.893	-0.007	1.630
H7	-0.893	0.007	1.630
H8	-0.839	1.280	-0.579
H9	-0.033	2.172	0.763
H10	0.839	-1.280	-0.579
H11	0.033	-2.172	0.763

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5236	1.5236	2.3923	2.3923	1.1046	1.1046	2.1844	2.1832	2.1844	2.1832
C2	1.5236		2.5353	1.4090	2.9501	2.1584	2.1499	1.1014	1.1018	2.7753	3.4969
C3	1.5236	2.5353		2.9501	1.4090	2.1499	2.1584	2.7753	3.4969	1.1014	1.1018
F4	2.3923	1.4090	2.9501		3.5618	2.6293	3.3356	2.0296	2.0294	2.6286	3.9338
F5	2.3923	2.9501	1.4090	3.5618		3.3356	2.6293	2.6286	3.9338	2.0296	2.0294
H6	1.1046	2.1584	2.1499	2.6293	3.3356		1.7861	3.0879	2.5215	2.5499	2.4858
H7	1.1046	2.1499	2.1584	3.3356	2.6293	1.7861		2.5499	2.4858	3.0879	2.5215
H8	2.1844	1.1014	2.7753	2.0296	2.6286	3.0879	2.5499		1.8019	3.0604	3.8048
H9	2.1832	1.1018	3.4969	2.0294	3.9338	2.5215	2.4858	1.8019		3.8048	4.3449
H10	2.1844	2.7753	1.1014	2.6286	2.0296	2.5499	3.0879	3.0604	3.8048		1.8019
H11	2.1832	3.4969	1.1018	3.9338	2.0294	2.4858	2.5215	3.8048	4.3449	1.8019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.265	C1	C2	H8	111.635
C1	C2	H9	111.515	C1	C3	F5	109.265
C1	C3	H10	111.635	C1	C3	H11	111.515
C2	C1	C3	112.615	C2	C1	H6	109.384
C2	C1	H7	108.727	C3	C1	H6	108.727
C3	C1	H7	109.384	F4	C2	H8	107.269
F4	C2	H9	107.220	F5	C3	H10	107.269
F5	C3	H11	107.220	H6	C1	H7	107.895
H8	C2	H9	109.747	H10	C3	H11	109.747

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

using model chemistry: CCD/aug-cc-pVDZ

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: CCD/aug-cc-pVDZ

States and conformations

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