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	hartrees
Energy at 0K	-912.221894
Energy at 298.15K	-912.211412
HF Energy	-909.090717
Nuclear repulsion energy	807.467958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1551	1551	11.94
2	A₁	1445	1445	446.50
3	A₁	1276	1276	265.51
4	A₁	857	857	4.35
5	A₁	730	730	4.13
6	A₁	597	597	14.54
7	A₁	418	418	0.12
8	A₁	342	342	0.74
9	A₁	161	161	1.37
10	A₂	1395	1395	0.00
11	A₂	622	622	0.00
12	A₂	386	386	0.00
13	A₂	242	242	0.00
14	A₂	24	24	0.00
15	B₁	1440	1440	674.11
16	B₁	1378	1378	181.89
17	B₁	682	682	2.61
18	B₁	509	509	5.02
19	B₁	227	227	6.18
20	B₁	88	88	0.05
21	B₂	1531	1531	190.73
22	B₂	1378	1378	64.36
23	B₂	1111	1111	307.22
24	B₂	800	800	72.95
25	B₂	588	588	11.32
26	B₂	365	365	0.01
27	B₂	291	291	4.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.583
C2	0.000	1.302	-0.233
C3	0.000	-1.302	-0.233
F4	1.078	0.000	1.350
F5	-1.078	0.000	1.350
F6	0.000	2.317	0.591
F7	0.000	-2.317	0.591
F8	1.065	1.369	-0.990
F9	-1.065	1.369	-0.990
F10	-1.065	-1.369	-0.990
F11	1.065	-1.369	-0.990

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5369	1.5369	1.3233	1.3233	2.3170	2.3170	2.3417	2.3417	2.3417	2.3417
C2	1.5369		2.6045	2.3164	2.3164	1.3070	3.7118	1.3081	1.3081	2.9740	2.9740
C3	1.5369	2.6045		2.3164	2.3164	3.7118	1.3070	2.9740	2.9740	1.3081	1.3081
F4	1.3233	2.3164	2.3164		2.1565	2.6661	2.6661	2.7113	3.4561	3.4561	2.7113
F5	1.3233	2.3164	2.3164	2.1565		2.6661	2.6661	3.4561	2.7113	2.7113	3.4561
F6	2.3170	1.3070	3.7118	2.6661	2.6661		4.6339	2.1283	2.1283	4.1499	4.1499
F7	2.3170	3.7118	1.3070	2.6661	2.6661	4.6339		4.1499	4.1499	2.1283	2.1283
F8	2.3417	1.3081	2.9740	2.7113	3.4561	2.1283	4.1499		2.1300	3.4697	2.7389
F9	2.3417	1.3081	2.9740	3.4561	2.7113	2.1283	4.1499	2.1300		2.7389	3.4697
F10	2.3417	2.9740	1.3081	3.4561	2.7113	4.1499	2.1283	3.4697	2.7389		2.1300
F11	2.3417	2.9740	1.3081	2.7113	3.4561	4.1499	2.1283	2.7389	3.4697	2.1300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.847	C1	C2	F8	110.530
C1	C2	F9	110.530	C1	C3	F7	108.847
C1	C3	F10	110.530	C1	C3	F11	110.530
C2	C1	C3	115.841	C2	C1	F4	107.932
C2	C1	F5	107.932	C3	C1	F4	107.932
C3	C1	F5	107.932	F4	C1	F5	109.138
F6	C2	F8	108.945	F6	C2	F9	108.945
F7	C3	F10	108.945	F7	C3	F11	108.945
F8	C2	F9	109.008	F10	C3	F11	109.008

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)