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	hartrees
Energy at 0K	-317.152443
Energy at 298.15K
HF Energy	-316.102548
Nuclear repulsion energy	188.184791

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3146	3146	26.55
2	A	3093	3093	3.66
3	A	3070	3070	6.60
4	A	1538	1538	0.37
5	A	1475	1475	8.50
6	A	1461	1461	7.52
7	A	1334	1334	0.82
8	A	1264	1264	0.69
9	A	1148	1148	25.01
10	A	1031	1031	39.96
11	A	890	890	0.11
12	A	539	539	3.42
13	A	246	246	3.89
14	A	83	83	4.02
15	B	3146	3146	24.09
16	B	3118	3118	22.94
17	B	3089	3089	51.45
18	B	1538	1538	3.45
19	B	1444	1444	13.55
20	B	1413	1413	1.83
21	B	1284	1284	6.63
22	B	1141	1141	11.65
23	B	1117	1117	110.07
24	B	978	978	23.06
25	B	795	795	2.85
26	B	422	422	7.93
27	B	186	186	9.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.969
C2	0.000	1.259	0.129
C3	0.000	-1.259	0.129
F4	1.177	1.325	-0.608
F5	-1.177	-1.325	-0.608
H6	0.882	-0.005	1.612
H7	-0.882	0.005	1.612
H8	-0.831	1.264	-0.575
H9	-0.048	2.150	0.753
H10	0.831	-1.264	-0.575
H11	0.048	-2.150	0.753

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5137	1.5137	2.3720	2.3720	1.0918	1.0918	2.1618	2.1615	2.1618	2.1615
C2	1.5137		2.5178	1.3899	2.9328	2.1392	2.1336	1.0889	1.0891	2.7479	3.4660
C3	1.5137	2.5178		2.9328	1.3899	2.1336	2.1392	2.7479	3.4660	1.0889	1.0891
F4	2.3720	1.3899	2.9328		3.5436	2.6043	3.3032	2.0086	2.0082	2.6118	3.8988
F5	2.3720	2.9328	1.3899	3.5436		3.3032	2.6043	2.6118	3.8988	2.0086	2.0082
H6	1.0918	2.1392	2.1336	2.6043	3.3032		1.7649	3.0544	2.4993	2.5246	2.4571
H7	1.0918	2.1336	2.1392	3.3032	2.6043	1.7649		2.5246	2.4571	3.0544	2.4993
H8	2.1618	1.0889	2.7479	2.0086	2.6118	3.0544	2.5246		1.7784	3.0250	3.7672
H9	2.1615	1.0891	3.4660	2.0082	3.8988	2.4993	2.4571	1.7784		3.7672	4.3012
H10	2.1618	2.7479	1.0889	2.6118	2.0086	2.5246	3.0544	3.0250	3.7672		1.7784
H11	2.1615	3.4660	1.0891	3.8988	2.0082	2.4571	2.4993	3.7672	4.3012	1.7784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.483	C1	C2	H8	111.280
C1	C2	H9	111.240	C1	C3	F5	109.483
C1	C3	H10	111.280	C1	C3	H11	111.240
C2	C1	C3	112.547	C2	C1	H6	109.304
C2	C1	H7	108.865	C3	C1	H6	108.865
C3	C1	H7	109.304	F4	C2	H8	107.635
F4	C2	H9	107.586	F5	C3	H10	107.635
F5	C3	H11	107.586	H6	C1	H7	107.846
H8	C2	H9	109.479	H10	C3	H11	109.479

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

using model chemistry: QCISD/Def2TZVPP

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/Def2TZVPP

States and conformations

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