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	hartrees
Energy at 0K	-316.919601
Energy at 298.15K
HF Energy	-316.041160
Nuclear repulsion energy	187.948382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3119	3003
2	A	3061	2946
3	A	3035	2921
4	A	1545	1487
5	A	1488	1433
6	A	1458	1404
7	A	1326	1277
8	A	1260	1213
9	A	1136	1094
10	A	1021	983
11	A	887	854
12	A	550	530
13	A	250	241
14	A	85	82
15	B	3120	3003
16	B	3085	2970
17	B	3057	2943
18	B	1547	1489
19	B	1438	1384
20	B	1409	1356
21	B	1275	1227
22	B	1145	1102
23	B	1107	1066
24	B	973	937
25	B	787	757
26	B	418	403
27	B	202	195

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.991
C2	0.000	1.261	0.143
C3	0.000	-1.261	0.143
F4	1.160	1.290	-0.633
F5	-1.160	-1.290	-0.633
H6	0.889	-0.003	1.639
H7	-0.889	0.003	1.639
H8	-0.857	1.280	-0.539
H9	-0.005	2.164	0.767
H10	0.857	-1.280	-0.539
H11	0.005	-2.164	0.767

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5197	1.5197	2.3769	2.3769	1.0998	1.0998	2.1710	2.1754	2.1710	2.1754
C2	1.5197		2.5226	1.3963	2.9085	2.1506	2.1469	1.0959	1.0972	2.7671	3.4815
C3	1.5197	2.5226		2.9085	1.3963	2.1469	2.1506	2.7671	3.4815	1.0959	1.0972
F4	2.3769	1.3963	2.9085		3.4699	2.6287	3.3192	2.0195	2.0202	2.5894	3.9023
F5	2.3769	2.9085	1.3963	3.4699		3.3192	2.6287	2.5894	3.9023	2.0195	2.0202
H6	1.0998	2.1506	2.1469	2.6287	3.3192		1.7778	3.0720	2.5008	2.5243	2.4920
H7	1.0998	2.1469	2.1506	3.3192	2.6287	1.7778		2.5243	2.4920	3.0720	2.5008
H8	2.1710	1.0959	2.7671	2.0195	2.5894	3.0720	2.5243		1.7931	3.0806	3.7824
H9	2.1754	1.0972	3.4815	2.0202	3.9023	2.5008	2.4920	1.7931		3.7824	4.3278
H10	2.1710	2.7671	1.0959	2.5894	2.0195	2.5243	3.0720	3.0806	3.7824		1.7931
H11	2.1754	3.4815	1.0972	3.9023	2.0202	2.4920	2.5008	3.7824	4.3278	1.7931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.125	C1	C2	H8	111.171
C1	C2	H9	111.447	C1	C3	F5	109.125
C1	C3	H10	111.171	C1	C3	H11	111.447
C2	C1	C3	112.194	C2	C1	H6	109.322
C2	C1	H7	109.030	C3	C1	H6	109.030
C3	C1	H7	109.322	F4	C2	H8	107.644
F4	C2	H9	107.622	F5	C3	H10	107.644
F5	C3	H11	107.622	H6	C1	H7	107.845
H8	C2	H9	109.690	H10	C3	H11	109.690

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

using model chemistry: CCSD(T)/6-311G*

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(T)/6-311G*

States and conformations

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