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	hartrees
Energy at 0K	-317.005142
Energy at 298.15K
HF Energy	-316.087530
Nuclear repulsion energy	187.616656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3140	3022
2	A	3083	2967
3	A	3058	2943
4	A	1536	1478
5	A	1472	1417
6	A	1464	1409
7	A	1325	1275
8	A	1262	1214
9	A	1138	1095
10	A	1014	976
11	A	880	847
12	A	546	526
13	A	247	238
14	A	83	80
15	B	3141	3023
16	B	3109	2993
17	B	3079	2964
18	B	1538	1480
19	B	1440	1386
20	B	1411	1358
21	B	1281	1233
22	B	1139	1096
23	B	1097	1056
24	B	971	935
25	B	786	756
26	B	417	401
27	B	193	185

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.983
C2	0.000	1.264	0.143
C3	0.000	-1.264	0.143
F4	1.166	1.311	-0.630
F5	-1.166	-1.311	-0.630
H6	0.886	-0.008	1.627
H7	-0.886	0.008	1.627
H8	-0.850	1.283	-0.543
H9	-0.014	2.156	0.773
H10	0.850	-1.283	-0.543
H11	0.014	-2.156	0.773

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5176	1.5176	2.3830	2.3830	1.0954	1.0954	2.1675	2.1666	2.1675	2.1666
C2	1.5176		2.5276	1.3992	2.9301	2.1461	2.1362	1.0923	1.0928	2.7715	3.4778
C3	1.5176	2.5276		2.9301	1.3992	2.1362	2.1461	2.7715	3.4778	1.0923	1.0928
F4	2.3830	1.3992	2.9301		3.5086	2.6288	3.3165	2.0177	2.0184	2.6150	3.9139
F5	2.3830	2.9301	1.3992	3.5086		3.3165	2.6288	2.6150	3.9139	2.0177	2.0184
H6	1.0954	2.1461	2.1362	2.6288	3.3165		1.7728	3.0644	2.4949	2.5167	2.4706
H7	1.0954	2.1362	2.1461	3.3165	2.6288	1.7728		2.5167	2.4706	3.0644	2.4949
H8	2.1675	1.0923	2.7715	2.0177	2.6150	3.0644	2.5167		1.7871	3.0788	3.7829
H9	2.1666	1.0928	3.4778	2.0184	3.9139	2.4949	2.4706	1.7871		3.7829	4.3128
H10	2.1675	2.7715	1.0923	2.6150	2.0177	2.5167	3.0644	3.0788	3.7829		1.7871
H11	2.1666	3.4778	1.0928	3.9139	2.0184	2.4706	2.4949	3.7829	4.3128	1.7871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.502	C1	C2	H8	111.252
C1	C2	H9	111.148	C1	C3	F5	109.502
C1	C3	H10	111.252	C1	C3	H11	111.148
C2	C1	C3	112.766	C2	C1	H6	109.372
C2	C1	H7	108.597	C3	C1	H6	108.597
C3	C1	H7	109.372	F4	C2	H8	107.522
F4	C2	H9	107.540	F5	C3	H10	107.522
F5	C3	H11	107.540	H6	C1	H7	108.031
H8	C2	H9	109.737	H10	C3	H11	109.737

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

using model chemistry: CCSD(T)/TZVP

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)/TZVP

States and conformations

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