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	hartrees
Energy at 0K	-317.140068
Energy at 298.15K
HF Energy	-316.087049
Nuclear repulsion energy	188.369330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3142	3002	28.44
2	A	3089	2951	3.58
3	A	3069	2932	6.70
4	A	1540	1472	0.47
5	A	1478	1412	8.60
6	A	1463	1398	7.16
7	A	1335	1275	0.82
8	A	1265	1209	0.78
9	A	1153	1102	24.75
10	A	1036	990	38.39
11	A	893	853	0.04
12	A	541	516	3.45
13	A	248	237	3.76
14	A	86	82	3.83
15	B	3142	3002	26.46
16	B	3116	2978	22.43
17	B	3085	2948	54.68
18	B	1540	1471	3.23
19	B	1444	1380	13.24
20	B	1414	1351	1.65
21	B	1284	1227	7.21
22	B	1143	1092	13.48
23	B	1123	1073	104.80
24	B	981	937	20.91
25	B	798	763	2.85
26	B	424	405	7.76
27	B	188	180	9.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.970
C2	0.000	1.258	0.128
C3	0.000	-1.258	0.128
F4	1.176	1.320	-0.607
F5	-1.176	-1.320	-0.607
H6	0.882	-0.003	1.613
H7	-0.882	0.003	1.613
H8	-0.832	1.258	-0.576
H9	-0.050	2.150	0.750
H10	0.832	-1.258	-0.576
H11	0.050	-2.150	0.750

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5135	1.5135	2.3692	2.3692	1.0919	1.0919	2.1597	2.1618	2.1597	2.1618
C2	1.5135		2.5150	1.3880	2.9270	2.1391	2.1350	1.0893	1.0895	2.7416	3.4644
C3	1.5135	2.5150		2.9270	1.3880	2.1350	2.1391	2.7416	3.4644	1.0893	1.0895
F4	2.3692	1.3880	2.9270		3.5360	2.6017	3.3015	2.0088	2.0088	2.6017	3.8927
F5	2.3692	2.9270	1.3880	3.5360		3.3015	2.6017	2.6017	3.8927	2.0088	2.0088
H6	1.0919	2.1391	2.1350	2.6017	3.3015		1.7645	3.0532	2.5004	2.5237	2.4585
H7	1.0919	2.1350	2.1391	3.3015	2.6017	1.7645		2.5237	2.4585	3.0532	2.5004
H8	2.1597	1.0893	2.7416	2.0088	2.6017	3.0532	2.5237		1.7788	3.0169	3.7622
H9	2.1618	1.0895	3.4644	2.0088	3.8927	2.5004	2.4585	1.7788		3.7622	4.3012
H10	2.1597	2.7416	1.0893	2.6017	2.0088	2.5237	3.0532	3.0169	3.7622		1.7788
H11	2.1618	3.4644	1.0895	3.8927	2.0088	2.4585	2.5004	3.7622	4.3012	1.7788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.401	C1	C2	H8	111.102
C1	C2	H9	111.252	C1	C3	F5	109.401
C1	C3	H10	111.102	C1	C3	H11	111.252
C2	C1	C3	112.371	C2	C1	H6	109.301
C2	C1	H7	108.982	C3	C1	H6	108.982
C3	C1	H7	109.301	F4	C2	H8	107.759
F4	C2	H9	107.745	F5	C3	H10	107.759
F5	C3	H11	107.745	H6	C1	H7	107.798
H8	C2	H9	109.459	H10	C3	H11	109.459

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

using model chemistry: QCISD/cc-pVTZ

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/cc-pVTZ

States and conformations

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