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	hartrees
Energy at 0K	-909.477811
Energy at 298.15K	-909.481979
HF Energy	-909.477811
Nuclear repulsion energy	807.559501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1542	1403	11.97
2	A₁	1433	1304	420.47
3	A₁	1281	1166	238.13
4	A₁	864	786	3.62
5	A₁	735	669	4.35
6	A₁	599	545	12.04
7	A₁	421	383	0.08
8	A₁	341	310	0.60
9	A₁	160	145	0.98
10	A₂	1387	1262	0.00
11	A₂	626	569	0.00
12	A₂	388	353	0.00
13	A₂	248	226	0.00
14	A₂	33	30	0.00
15	B₁	1432	1303	604.26
16	B₁	1376	1253	196.02
17	B₁	685	623	2.01
18	B₁	510	464	4.31
19	B₁	233	212	4.61
20	B₁	90	82	0.02
21	B₂	1515	1379	180.05
22	B₂	1370	1247	54.75
23	B₂	1115	1015	281.25
24	B₂	808	735	68.08
25	B₂	591	538	9.29
26	B₂	367	334	0.04
27	B₂	296	270	3.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.583
C2	0.000	1.308	-0.235
C3	0.000	-1.308	-0.235
F4	1.074	0.000	1.348
F5	-1.074	0.000	1.348
F6	0.000	2.316	0.592
F7	0.000	-2.316	0.592
F8	1.062	1.382	-0.989
F9	-1.062	1.382	-0.989
F10	-1.062	-1.382	-0.989
F11	1.062	-1.382	-0.989

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5424	1.5424	1.3183	1.3183	2.3164	2.3164	2.3466	2.3466	2.3466	2.3466
C2	1.5424		2.6161	2.3168	2.3168	1.3040	3.7176	1.3044	1.3044	2.9888	2.9888
C3	1.5424	2.6161		2.3168	2.3168	3.7176	1.3040	2.9888	2.9888	1.3044	1.3044
F4	1.3183	2.3168	2.3168		2.1472	2.6625	2.6625	2.7144	3.4538	3.4538	2.7144
F5	1.3183	2.3168	2.3168	2.1472		2.6625	2.6625	3.4538	2.7144	2.7144	3.4538
F6	2.3164	1.3040	3.7176	2.6625	2.6625		4.6328	2.1211	2.1211	4.1600	4.1600
F7	2.3164	3.7176	1.3040	2.6625	2.6625	4.6328		4.1600	4.1600	2.1211	2.1211
F8	2.3466	1.3044	2.9888	2.7144	3.4538	2.1211	4.1600		2.1238	3.4859	2.7642
F9	2.3466	1.3044	2.9888	3.4538	2.7144	2.1211	4.1600	2.1238		2.7642	3.4859
F10	2.3466	2.9888	1.3044	3.4538	2.7144	4.1600	2.1211	3.4859	2.7642		2.1238
F11	2.3466	2.9888	1.3044	2.7144	3.4538	4.1600	2.1211	2.7642	3.4859	2.1238

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.647	C1	C2	F8	110.756
C1	C2	F9	110.756	C1	C3	F7	108.647
C1	C3	F10	110.756	C1	C3	F11	110.756
C2	C1	C3	116.001	C2	C1	F4	107.909
C2	C1	F5	107.909	C3	C1	F4	107.909
C3	C1	F5	107.909	F4	C1	F5	109.058
F6	C2	F8	108.818	F6	C2	F9	108.818
F7	C3	F10	108.818	F7	C3	F11	108.818
F8	C2	F9	109.001	F10	C3	F11	109.001

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.366
2	C	0.605
3	C	0.605
4	F	-0.211
5	F	-0.211
6	F	-0.190
7	F	-0.190
8	F	-0.193
9	F	-0.193
10	F	-0.193
11	F	-0.193

<r²>	360.092
(<r²>)^1/2	18.976

All results from a given calculation for C3F8 (perfluoropropane)

using model chemistry: HF/cc-pVTZ

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)