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	hartrees
Energy at 0K	-905.431811
Energy at 298.15K
HF Energy	-904.197333
Nuclear repulsion energy	789.363279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1365	1294	105.49
2	A₁	1352	1282	141.85
3	A₁	1188	1126	163.86
4	A₁	747	708	5.13
5	A₁	654	620	2.48
6	A₁	519	492	17.68
7	A₁	366	347	0.30
8	A₁	317	301	0.75
9	A₁	152	144	1.55
10	A₂	1294	1227	0.00
11	A₂	548	520	0.00
12	A₂	333	316	0.00
13	A₂	212	201	0.00
14	A₂	37i	35i	0.00
15	B₁	1330	1261	444.25
16	B₁	1240	1175	12.05
17	B₁	607	576	3.21
18	B₁	443	420	6.14
19	B₁	201	191	6.69
20	B₁	81	77	0.05
21	B₂	1362	1291	138.96
22	B₂	1269	1203	43.57
23	B₂	1018	965	186.05
24	B₂	687	651	59.61
25	B₂	513	486	14.72
26	B₂	334	316	0.03
27	B₂	257	244	4.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.594
C2	0.000	1.277	-0.229
C3	0.000	-1.277	-0.229
F4	1.136	0.000	1.390
F5	-1.136	0.000	1.390
F6	0.000	2.359	0.608
F7	0.000	-2.359	0.608
F8	1.114	1.321	-1.022
F9	-1.114	1.321	-1.022
F10	-1.114	-1.321	-1.022
F11	1.114	-1.321	-1.022

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5192	1.5192	1.3872	1.3872	2.3591	2.3591	2.3655	2.3655	2.3655	2.3655
C2	1.5192		2.5542	2.3545	2.3545	1.3677	3.7312	1.3680	1.3680	2.9361	2.9361
C3	1.5192	2.5542		2.3545	2.3545	3.7312	1.3677	2.9361	2.9361	1.3680	1.3680
F4	1.3872	2.3545	2.3545		2.2711	2.7327	2.7327	2.7501	3.5531	3.5531	2.7501
F5	1.3872	2.3545	2.3545	2.2711		2.7327	2.7327	3.5531	2.7501	2.7501	3.5531
F6	2.3591	1.3677	3.7312	2.7327	2.7327		4.7181	2.2300	2.2300	4.1761	4.1761
F7	2.3591	3.7312	1.3677	2.7327	2.7327	4.7181		4.1761	4.1761	2.2300	2.2300
F8	2.3655	1.3680	2.9361	2.7501	3.5531	2.2300	4.1761		2.2287	3.4567	2.6423
F9	2.3655	1.3680	2.9361	3.5531	2.7501	2.2300	4.1761	2.2287		2.6423	3.4567
F10	2.3655	2.9361	1.3680	3.5531	2.7501	4.1761	2.2300	3.4567	2.6423		2.2287
F11	2.3655	2.9361	1.3680	2.7501	3.5531	4.1761	2.2300	2.6423	3.4567	2.2287

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.492	C1	C2	F8	109.921
C1	C2	F9	109.921	C1	C3	F7	109.492
C1	C3	F10	109.921	C1	C3	F11	109.921
C2	C1	C3	114.418	C2	C1	F4	108.125
C2	C1	F5	108.125	C3	C1	F4	108.125
C3	C1	F5	108.125	F4	C1	F5	109.882
F6	C2	F8	109.199	F6	C2	F9	109.199
F7	C3	F10	109.199	F7	C3	F11	109.199
F8	C2	F9	109.090	F10	C3	F11	109.090

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: MP2=FULL/3-21G*

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=FULL/3-21G*

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)