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	hartrees
Energy at 0K	-911.927364
Energy at 298.15K	-911.931028
HF Energy	-909.472675
Nuclear repulsion energy	798.604852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1413	1342	6.48
2	A₁	1295	1230	378.68
3	A₁	1181	1121	161.91
4	A₁	793	753	2.22
5	A₁	676	642	4.06
6	A₁	550	523	7.49
7	A₁	388	368	0.03
8	A₁	320	304	0.44
9	A₁	153	145	0.72
10	A₂	1249	1186	0.00
11	A₂	575	546	0.00
12	A₂	355	337	0.00
13	A₂	229	217	0.00
14	A₂	29	28	0.00
15	B₁	1297	1232	592.42
16	B₁	1243	1180	80.08
17	B₁	631	599	0.90
18	B₁	469	445	2.75
19	B₁	219	208	3.36
20	B₁	89	84	0.02
21	B₂	1396	1326	133.92
22	B₂	1235	1173	59.71
23	B₂	1030	978	221.12
24	B₂	741	704	49.94
25	B₂	544	516	6.28
26	B₂	343	326	0.08
27	B₂	272	259	2.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.587
C2	0.000	1.307	-0.235
C3	0.000	-1.307	-0.235
F4	1.095	0.000	1.362
F5	-1.095	0.000	1.362
F6	0.000	2.336	0.604
F7	0.000	-2.336	0.604
F8	1.082	1.377	-1.002
F9	-1.082	1.377	-1.002
F10	-1.082	-1.377	-1.002
F11	1.082	-1.377	-1.002

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5436	1.5436	1.3417	1.3417	2.3357	2.3357	2.3645	2.3645	2.3645	2.3645
C2	1.5436		2.6131	2.3361	2.3361	1.3282	3.7377	1.3280	1.3280	2.9933	2.9933
C3	1.5436	2.6131		2.3361	2.3361	3.7377	1.3282	2.9933	2.9933	1.3280	1.3280
F4	1.3417	2.3361	2.3361		2.1899	2.6885	2.6885	2.7360	3.4964	3.4964	2.7360
F5	1.3417	2.3361	2.3361	2.1899		2.6885	2.6885	3.4964	2.7360	2.7360	3.4964
F6	2.3357	1.3282	3.7377	2.6885	2.6885		4.6713	2.1612	2.1612	4.1875	4.1875
F7	2.3357	3.7377	1.3282	2.6885	2.6885	4.6713		4.1875	4.1875	2.1612	2.1612
F8	2.3645	1.3280	2.9933	2.7360	3.4964	2.1612	4.1875		2.1640	3.5024	2.7539
F9	2.3645	1.3280	2.9933	3.4964	2.7360	2.1612	4.1875	2.1640		2.7539	3.5024
F10	2.3645	2.9933	1.3280	3.4964	2.7360	4.1875	2.1612	3.5024	2.7539		2.1640
F11	2.3645	2.9933	1.3280	2.7360	3.4964	4.1875	2.1612	2.7539	3.5024	2.1640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.614	C1	C2	F8	110.631
C1	C2	F9	110.631	C1	C3	F7	108.614
C1	C3	F10	110.631	C1	C3	F11	110.631
C2	C1	C3	115.651	C2	C1	F4	107.923
C2	C1	F5	107.923	C3	C1	F4	107.923
C3	C1	F5	107.923	F4	C1	F5	109.392
F6	C2	F8	108.903	F6	C2	F9	108.903
F7	C3	F10	108.903	F7	C3	F11	108.903
F8	C2	F9	109.120	F10	C3	F11	109.120

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: MP2/cc-pVTZ

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 C3F8 (perfluoropropane)

using model chemistry: MP2/cc-pVTZ

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)