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	hartrees
Energy at 0K	-317.185966
Energy at 298.15K
HF Energy	-316.102111
Nuclear repulsion energy	187.923840

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3126	3126
2	A	3072	3072
3	A	3051	3051
4	A	1523	1523
5	A	1457	1457
6	A	1443	1443
7	A	1319	1319
8	A	1249	1249
9	A	1133	1133
10	A	1016	1016
11	A	881	881
12	A	533	533
13	A	243	243
14	A	79	79
15	B	3126	3126
16	B	3101	3101
17	B	3069	3069
18	B	1522	1522
19	B	1424	1424
20	B	1395	1395
21	B	1269	1269
22	B	1129	1129
23	B	1100	1100
24	B	966	966
25	B	784	784
26	B	415	415
27	B	183	183

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.975
C2	0.000	1.259	0.131
C3	0.000	-1.259	0.131
F4	1.179	1.319	-0.612
F5	-1.179	-1.319	-0.612
H6	0.884	-0.005	1.618
H7	-0.884	0.005	1.618
H8	-0.834	1.263	-0.573
H9	-0.042	2.154	0.754
H10	0.834	-1.263	-0.573
H11	0.042	-2.154	0.754

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5160	1.5160	2.3762	2.3762	1.0935	1.0935	2.1643	2.1654	2.1643	2.1654
C2	1.5160		2.5188	1.3943	2.9309	2.1429	2.1368	1.0907	1.0908	2.7483	3.4698
C3	1.5160	2.5188		2.9309	1.3943	2.1368	2.1429	2.7483	3.4698	1.0907	1.0908
F4	2.3762	1.3943	2.9309		3.5380	2.6099	3.3095	2.0133	2.0131	2.6057	3.9010
F5	2.3762	2.9309	1.3943	3.5380		3.3095	2.6099	2.6057	3.9010	2.0133	2.0131
H6	1.0935	2.1429	2.1368	2.6099	3.3095		1.7688	3.0589	2.5032	2.5263	2.4640
H7	1.0935	2.1368	2.1429	3.3095	2.6099	1.7688		2.5263	2.4640	3.0589	2.5032
H8	2.1643	1.0907	2.7483	2.0133	2.6057	3.0589	2.5263		1.7828	3.0270	3.7686
H9	2.1654	1.0908	3.4698	2.0131	3.9010	2.5032	2.4640	1.7828		3.7686	4.3083
H10	2.1643	2.7483	1.0907	2.6057	2.0133	2.5263	3.0589	3.0270	3.7686		1.7828
H11	2.1654	3.4698	1.0908	3.9010	2.0131	2.4640	2.5032	3.7686	4.3083	1.7828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.399	C1	C2	H8	111.214
C1	C2	H9	111.294	C1	C3	F5	109.399
C1	C3	H10	111.214	C1	C3	H11	111.294
C2	C1	C3	112.355	C2	C1	H6	109.346
C2	C1	H7	108.870	C3	C1	H6	108.870
C3	C1	H7	109.346	F4	C2	H8	107.605
F4	C2	H9	107.576	F5	C3	H10	107.605
F5	C3	H11	107.576	H6	C1	H7	107.957
H8	C2	H9	109.614	H10	C3	H11	109.614

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

using model chemistry: QCISD(T)/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(T)/Def2TZVPP

States and conformations

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