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	hartrees
Energy at 0K	-910.038202
Energy at 298.15K	-910.041439
HF Energy	-908.795183
Nuclear repulsion energy	776.622492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1338	1284	37.45
2	A₁	1292	1240	198.70
3	A₁	1141	1095	176.01
4	A₁	727	698	3.84
5	A₁	631	605	3.75
6	A₁	500	480	20.48
7	A₁	360	345	0.14
8	A₁	311	298	0.77
9	A₁	153	147	1.63
10	A₂	1241	1190	0.00
11	A₂	530	509	0.00
12	A₂	334	321	0.00
13	A₂	221	212	0.00
14	A₂	23	22	0.00
15	B₁	1276	1224	335.96
16	B₁	1222	1172	123.47
17	B₁	597	572	2.37
18	B₁	433	416	8.37
19	B₁	213	205	7.31
20	B₁	87	84	0.04
21	B₂	1362	1306	105.84
22	B₂	1223	1174	36.04
23	B₂	988	948	214.93
24	B₂	670	643	64.84
25	B₂	495	475	15.25
26	B₂	331	317	0.03
27	B₂	265	254	4.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.577
C2	0.000	1.316	-0.230
C3	0.000	-1.316	-0.230
F4	1.142	0.000	1.388
F5	-1.142	0.000	1.388
F6	0.000	2.391	0.640
F7	0.000	-2.391	0.640
F8	1.126	1.390	-1.034
F9	-1.126	1.390	-1.034
F10	-1.126	-1.390	-1.034
F11	1.126	-1.390	-1.034

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5442	1.5442	1.4009	1.4009	2.3918	2.3918	2.4070	2.4070	2.4070	2.4070
C2	1.5442		2.6328	2.3785	2.3785	1.3831	3.8083	1.3855	1.3855	3.0392	3.0392
C3	1.5442	2.6328		2.3785	2.3785	3.8083	1.3831	3.0392	3.0392	1.3855	1.3855
F4	1.4009	2.3785	2.3785		2.2838	2.7531	2.7531	2.7924	3.5976	3.5976	2.7924
F5	1.4009	2.3785	2.3785	2.2838		2.7531	2.7531	3.5976	2.7924	2.7924	3.5976
F6	2.3918	1.3831	3.8083	2.7531	2.7531		4.7819	2.2527	2.2527	4.2854	4.2854
F7	2.3918	3.8083	1.3831	2.7531	2.7531	4.7819		4.2854	4.2854	2.2527	2.2527
F8	2.4070	1.3855	3.0392	2.7924	3.5976	2.2527	4.2854		2.2529	3.5777	2.7792
F9	2.4070	1.3855	3.0392	3.5976	2.7924	2.2527	4.2854	2.2529		2.7792	3.5777
F10	2.4070	3.0392	1.3855	3.5976	2.7924	4.2854	2.2527	3.5777	2.7792		2.2529
F11	2.4070	3.0392	1.3855	2.7924	3.5976	4.2854	2.2527	2.7792	3.5777	2.2529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.461	C1	C2	F8	110.372
C1	C2	F9	110.372	C1	C3	F7	109.461
C1	C3	F10	110.372	C1	C3	F11	110.372
C2	C1	C3	116.969	C2	C1	F4	107.627
C2	C1	F5	107.627	C3	C1	F4	107.627
C3	C1	F5	107.627	F4	C1	F5	109.198
F6	C2	F8	108.908	F6	C2	F9	108.908
F7	C3	F10	108.908	F7	C3	F11	108.908
F8	C2	F9	108.785	F10	C3	F11	108.785

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: CCD/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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All results from a given calculation for C3F8 (perfluoropropane)

using model chemistry: CCD/6-31G

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)