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	hartrees
Energy at 0K	-316.962425
Energy at 298.15K
HF Energy	-315.984374
Nuclear repulsion energy	189.461175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3157	2991	28.42
2	A	3103	2940	6.39
3	A	3091	2929	2.85
4	A	1549	1468	1.04
5	A	1493	1414	7.40
6	A	1474	1396	9.36
7	A	1335	1265	0.60
8	A	1273	1206	0.56
9	A	1156	1095	28.13
10	A	1043	988	30.62
11	A	898	851	0.00
12	A	548	519	3.16
13	A	250	237	3.41
14	A	84	79	2.90
15	B	3160	2994	33.53
16	B	3142	2977	10.39
17	B	3098	2935	59.46
18	B	1553	1471	3.45
19	B	1447	1371	13.85
20	B	1418	1343	1.16
21	B	1292	1224	7.50
22	B	1150	1089	37.50
23	B	1133	1073	62.02
24	B	987	936	15.63
25	B	792	750	1.37
26	B	415	394	6.53
27	B	200	190	10.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.000
C2	0.000	1.252	0.142
C3	0.000	-1.252	0.142
F4	1.141	1.262	-0.637
F5	-1.141	-1.262	-0.637
H6	0.885	-0.004	1.644
H7	-0.885	0.004	1.644
H8	-0.867	1.262	-0.522
H9	-0.005	2.158	0.755
H10	0.867	-1.262	-0.522
H11	0.005	-2.158	0.755

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5182	1.5182	2.3606	2.3606	1.0943	1.0943	2.1596	2.1716	2.1596	2.1716
C2	1.5182		2.5047	1.3812	2.8683	2.1488	2.1441	1.0927	1.0934	2.7416	3.4647
C3	1.5182	2.5047		2.8683	1.3812	2.1441	2.1488	2.7416	3.4647	1.0927	1.0934
F4	2.3606	1.3812	2.8683		3.4014	2.6208	3.2994	2.0113	2.0130	2.5410	3.8624
F5	2.3606	2.8683	1.3812	3.4014		3.2994	2.6208	2.5410	3.8624	2.0113	2.0130
H6	1.0943	2.1488	2.1441	2.6208	3.2994		1.7700	3.0605	2.5009	2.5052	2.4907
H7	1.0943	2.1441	2.1488	3.2994	2.6208	1.7700		2.5052	2.4907	3.0605	2.5009
H8	2.1596	1.0927	2.7416	2.0113	2.5410	3.0605	2.5052		1.7827	3.0630	3.7534
H9	2.1716	1.0934	3.4647	2.0130	3.8624	2.5009	2.4907	1.7827		3.7534	4.3153
H10	2.1596	2.7416	1.0927	2.5410	2.0113	2.5052	3.0605	3.0630	3.7534		1.7827
H11	2.1716	3.4647	1.0934	3.8624	2.0130	2.4907	2.5009	3.7534	4.3153	1.7827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.920	C1	C2	H8	110.559
C1	C2	H9	111.471	C1	C3	F5	108.920
C1	C3	H10	110.559	C1	C3	H11	111.471
C2	C1	C3	111.152	C2	C1	H6	109.602
C2	C1	H7	109.238	C3	C1	H6	109.238
C3	C1	H7	109.602	F4	C2	H8	108.218
F4	C2	H9	108.314	F5	C3	H10	108.218
F5	C3	H11	108.314	H6	C1	H7	107.948
H8	C2	H9	109.272	H10	C3	H11	109.272

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

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

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