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	hartrees
Energy at 0K	-316.911906
Energy at 298.15K
HF Energy	-316.006702
Nuclear repulsion energy	186.513480

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3151	3151	23.35
2	A	3091	3091	3.85
3	A	3058	3058	9.31
4	A	1511	1511	0.12
5	A	1456	1456	9.01
6	A	1432	1432	6.86
7	A	1310	1310	0.83
8	A	1238	1238	0.93
9	A	1125	1125	21.83
10	A	1004	1004	45.25
11	A	885	885	1.13
12	A	531	531	3.55
13	A	243	243	4.54
14	A	84	84	4.26
15	B	3150	3150	21.10
16	B	3112	3112	28.33
17	B	3088	3088	47.56
18	B	1511	1511	2.91
19	B	1424	1424	12.30
20	B	1388	1388	3.32
21	B	1254	1254	6.67
22	B	1132	1132	7.40
23	B	1089	1089	103.92
24	B	958	958	34.99
25	B	781	781	3.74
26	B	414	414	8.62
27	B	185	185	10.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.981
C2	0.000	1.266	0.135
C3	0.000	-1.266	0.135
F4	1.192	1.320	-0.619
F5	-1.192	-1.320	-0.619
H6	0.893	-0.007	1.630
H7	-0.893	0.007	1.630
H8	-0.838	1.277	-0.578
H9	-0.030	2.171	0.761
H10	0.838	-1.277	-0.578
H11	0.030	-2.171	0.761

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5220	1.5220	2.3917	2.3917	1.1040	1.1040	2.1828	2.1823	2.1828	2.1823
C2	1.5220		2.5313	1.4112	2.9449	2.1568	2.1483	1.1006	1.1011	2.7710	3.4933
C3	1.5220	2.5313		2.9449	1.4112	2.1483	2.1568	2.7710	3.4933	1.1006	1.1011
F4	2.3917	1.4112	2.9449		3.5561	2.6282	3.3354	2.0302	2.0299	2.6215	3.9293
F5	2.3917	2.9449	1.4112	3.5561		3.3354	2.6282	2.6215	3.9293	2.0302	2.0299
H6	1.1040	2.1568	2.1483	2.6282	3.3354		1.7857	3.0859	2.5201	2.5483	2.4863
H7	1.1040	2.1483	2.1568	3.3354	2.6282	1.7857		2.5483	2.4863	3.0859	2.5201
H8	2.1828	1.1006	2.7710	2.0302	2.6215	3.0859	2.5483		1.8017	3.0554	3.7999
H9	2.1823	1.1011	3.4933	2.0299	3.9293	2.5201	2.4863	1.8017		3.7999	4.3424
H10	2.1828	2.7710	1.1006	2.6215	2.0302	2.5483	3.0859	3.0554	3.7999		1.8017
H11	2.1823	3.4933	1.1011	3.9293	2.0299	2.4863	2.5201	3.7999	4.3424	1.8017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.190	C1	C2	H8	111.663
C1	C2	H9	111.590	C1	C3	F5	109.190
C1	C3	H10	111.663	C1	C3	H11	111.590
C2	C1	C3	112.513	C2	C1	H6	109.400
C2	C1	H7	108.740	C3	C1	H6	108.740
C3	C1	H7	109.400	F4	C2	H8	107.206
F4	C2	H9	107.159	F5	C3	H10	107.206
F5	C3	H11	107.159	H6	C1	H7	107.945
H8	C2	H9	109.831	H10	C3	H11	109.831

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/aug-cc-pVDZ

States and conformations

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