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	hartrees
Energy at 0K	-911.276706
Energy at 298.15K	-911.280170
HF Energy	-909.228648
Nuclear repulsion energy	792.299676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1393	1350	3.90
2	A₁	1248	1209	374.28
3	A₁	1142	1107	154.34
4	A₁	764	740	1.76
5	A₁	653	633	4.19
6	A₁	526	510	7.06
7	A₁	373	362	0.02
8	A₁	314	305	0.40
9	A₁	151	147	0.66
10	A₂	1199	1162	0.00
11	A₂	552	535	0.00
12	A₂	346	335	0.00
13	A₂	222	215	0.00
14	A₂	31	30	0.00
15	B₁	1249	1211	605.36
16	B₁	1197	1160	55.69
17	B₁	613	594	0.62
18	B₁	452	438	2.70
19	B₁	214	207	2.96
20	B₁	88	85	0.03
21	B₂	1395	1352	106.07
22	B₂	1186	1150	67.23
23	B₂	1001	970	231.18
24	B₂	712	690	46.47
25	B₂	519	503	6.70
26	B₂	336	326	0.02
27	B₂	265	257	2.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.585
C2	0.000	1.309	-0.235
C3	0.000	-1.309	-0.235
F4	1.108	0.000	1.369
F5	-1.108	0.000	1.369
F6	0.000	2.350	0.614
F7	0.000	-2.350	0.614
F8	1.094	1.381	-1.011
F9	-1.094	1.381	-1.011
F10	-1.094	-1.381	-1.011
F11	1.094	-1.381	-1.011

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5446	1.5446	1.3577	1.3577	2.3506	2.3506	2.3777	2.3777	2.3777	2.3777
C2	1.5446		2.6182	2.3485	2.3485	1.3436	3.7567	1.3437	1.3437	3.0065	3.0065
C3	1.5446	2.6182		2.3485	2.3485	3.7567	1.3436	3.0065	3.0065	1.3437	1.3437
F4	1.3577	2.3485	2.3485		2.2165	2.7061	2.7061	2.7523	3.5251	3.5251	2.7523
F5	1.3577	2.3485	2.3485	2.2165		2.7061	2.7061	3.5251	2.7523	2.7523	3.5251
F6	2.3506	1.3436	3.7567	2.7061	2.7061		4.7008	2.1860	2.1860	4.2150	4.2150
F7	2.3506	3.7567	1.3436	2.7061	2.7061	4.7008		4.2150	4.2150	2.1860	2.1860
F8	2.3777	1.3437	3.0065	2.7523	3.5251	2.1860	4.2150		2.1888	3.5248	2.7628
F9	2.3777	1.3437	3.0065	3.5251	2.7523	2.1860	4.2150	2.1888		2.7628	3.5248
F10	2.3777	3.0065	1.3437	3.5251	2.7523	4.2150	2.1860	3.5248	2.7628		2.1888
F11	2.3777	3.0065	1.3437	2.7523	3.5251	4.2150	2.1860	2.7628	3.5248	2.1888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.750	C1	C2	F8	110.624
C1	C2	F9	110.624	C1	C3	F7	108.750
C1	C3	F10	110.624	C1	C3	F11	110.624
C2	C1	C3	115.889	C2	C1	F4	107.856
C2	C1	F5	107.856	C3	C1	F4	107.856
C3	C1	F5	107.856	F4	C1	F5	109.418
F6	C2	F8	108.868	F6	C2	F9	108.868
F7	C3	F10	108.868	F7	C3	F11	108.868
F8	C2	F9	109.066	F10	C3	F11	109.066

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: MP2=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)