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	hartrees
Energy at 0K	-912.935250
Energy at 298.15K
HF Energy	-912.935250
Nuclear repulsion energy	784.992402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1291	1281	7.39
2	A₁	1211	1202	295.29
3	A₁	1107	1099	190.81
4	A₁	734	729	1.57
5	A₁	629	625	4.33
6	A₁	507	504	5.17
7	A₁	358	355	0.02
8	A₁	299	296	0.31
9	A₁	152	151	0.68
10	A₂	1155	1146	0.00
11	A₂	530	526	0.00
12	A₂	327	325	0.00
13	A₂	211	209	0.00
14	A₂	7i	7i	0.00
15	B₁	1201	1192	500.44
16	B₁	1144	1135	107.21
17	B₁	584	580	0.29
18	B₁	433	430	1.78
19	B₁	205	204	3.10
20	B₁	76	75	0.05
21	B₂	1273	1264	137.13
22	B₂	1142	1133	37.11
23	B₂	963	955	216.52
24	B₂	684	679	44.56
25	B₂	501	498	4.92
26	B₂	319	316	0.06
27	B₂	253	251	2.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.600
C2	0.000	1.319	-0.235
C3	0.000	-1.319	-0.235
F4	1.117	0.000	1.394
F5	-1.117	0.000	1.394
F6	0.000	2.383	0.606
F7	0.000	-2.383	0.606
F8	1.104	1.379	-1.021
F9	-1.104	1.379	-1.021
F10	-1.104	-1.379	-1.021
F11	1.104	-1.379	-1.021

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5612	1.5612	1.3704	1.3704	2.3830	2.3830	2.3981	2.3981	2.3981	2.3981
C2	1.5612		2.6385	2.3749	2.3749	1.3555	3.7964	1.3572	1.3572	3.0198	3.0198
C3	1.5612	2.6385		2.3749	2.3749	3.7964	1.3555	3.0198	3.0198	1.3572	1.3572
F4	1.3704	2.3749	2.3749		2.2347	2.7475	2.7475	2.7812	3.5595	3.5595	2.7812
F5	1.3704	2.3749	2.3749	2.2347		2.7475	2.7475	3.5595	2.7812	2.7812	3.5595
F6	2.3830	1.3555	3.7964	2.7475	2.7475		4.7661	2.2078	2.2078	4.2450	4.2450
F7	2.3830	3.7964	1.3555	2.7475	2.7475	4.7661		4.2450	4.2450	2.2078	2.2078
F8	2.3981	1.3572	3.0198	2.7812	3.5595	2.2078	4.2450		2.2084	3.5334	2.7582
F9	2.3981	1.3572	3.0198	3.5595	2.7812	2.2078	4.2450	2.2084		2.7582	3.5334
F10	2.3981	3.0198	1.3572	3.5595	2.7812	4.2450	2.2078	3.5334	2.7582		2.2084
F11	2.3981	3.0198	1.3572	2.7812	3.5595	4.2450	2.2078	2.7582	3.5334	2.2084

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.374	C1	C2	F8	110.321
C1	C2	F9	110.321	C1	C3	F7	109.374
C1	C3	F10	110.321	C1	C3	F11	110.321
C2	C1	C3	115.347	C2	C1	F4	108.036
C2	C1	F5	108.036	C3	C1	F4	108.036
C3	C1	F5	108.036	F4	C1	F5	109.241
F6	C2	F8	108.948	F6	C2	F9	108.948
F7	C3	F10	108.948	F7	C3	F11	108.948
F8	C2	F9	108.898	F10	C3	F11	108.898

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: BLYP/6-31G**

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	0.399
2	C	0.697
3	C	0.697
4	F	-0.240
5	F	-0.240
6	F	-0.220
7	F	-0.220
8	F	-0.218
9	F	-0.218
10	F	-0.218
11	F	-0.218

<r²>	374.738
(<r²>)^1/2	19.358

All results from a given calculation for C3F8 (perfluoropropane)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)