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	hartrees
Energy at 0K
Energy at 298.15K	-0.177976
HF Energy	-0.177976
Nuclear repulsion energy	144.916514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2741	2912	65.00
2	A	2712	2881	0.59
3	A	2653	2819	49.01
4	A	1320	1402	2.98
5	A	1290	1370	8.37
6	A	1262	1341	38.38
7	A	1209	1285	6.76
8	A	1175	1248	1.21
9	A	1099	1167	5.97
10	A	1041	1106	3.78
11	A	929	987	8.20
12	A	476	505	0.41
13	A	275	293	5.83
14	A	60	64	5.26
15	B	2713	2882	55.51
16	B	2665	2832	69.12
17	B	2651	2817	17.77
18	B	1325	1408	20.53
19	B	1306	1387	36.47
20	B	1284	1364	9.37
21	B	1213	1289	33.67
22	B	1159	1232	38.52
23	B	1123	1193	1.67
24	B	945	1004	12.36
25	B	846	898	12.81
26	B	417	443	5.01
27	B	112	119	5.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.884
C2	0.000	1.276	0.044
C3	0.000	-1.276	0.044
F4	1.255	1.480	-0.480
F5	-1.255	-1.480	-0.480
H6	0.881	-0.014	1.561
H7	-0.881	0.014	1.561
H8	-0.697	1.223	-0.814
H9	-0.233	2.170	0.655
H10	0.697	-1.223	-0.814
H11	0.233	-2.170	0.655

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5277	1.5277	2.3720	2.3720	1.1115	1.1115	2.2062	2.1941	2.2062	2.1941
C2	1.5277		2.5520	1.3749	3.0735	2.1776	2.1615	1.1071	1.1068	2.7329	3.5070
C3	1.5277	2.5520		3.0735	1.3749	2.1615	2.1776	2.7329	3.5070	1.1071	1.1068
F4	2.3720	1.3749	3.0735		3.8809	2.5571	3.2985	1.9965	1.9935	2.7806	3.9564
F5	2.3720	3.0735	1.3749	3.8809		3.2985	2.5571	2.7806	3.9564	1.9965	1.9935
H6	1.1115	2.1776	2.1615	2.5571	3.2985		1.7630	3.1089	2.6135	2.6723	2.4271
H7	1.1115	2.1615	2.1776	3.2985	2.5571	1.7630		2.6723	2.4271	3.1089	2.6135
H8	2.2062	1.1071	2.7329	1.9965	2.7806	3.1089	2.6723		1.8081	2.8154	3.8122
H9	2.1941	1.1068	3.5070	1.9935	3.9564	2.6135	2.4271	1.8081		3.8122	4.3640
H10	2.2062	2.7329	1.1071	2.7806	1.9965	2.6723	3.1089	2.8154	3.8122		1.8081
H11	2.1941	3.5070	1.1068	3.9564	1.9935	2.4271	2.6135	3.8122	4.3640	1.8081

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.495	C1	C2	H8	112.743
C1	C2	H9	111.782	C1	C3	F5	109.495
C1	C3	H10	112.743	C1	C3	H11	111.782
C2	C1	C3	113.285	C2	C1	H6	110.201
C2	C1	H7	108.943	C3	C1	H6	108.943
C3	C1	H7	110.201	F4	C2	H8	106.603
F4	C2	H9	106.381	F5	C3	H10	106.603
F5	C3	H11	106.381	H6	C1	H7	104.937
H8	C2	H9	109.510	H10	C3	H11	109.510

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

using model chemistry: PM6

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: PM6

States and conformations

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