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	hartrees
Energy at 0K	-911.496439
Energy at 298.15K	-911.500066
HF Energy	-909.469183
Nuclear repulsion energy	795.726461

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1394	1321	12.16
2	A₁	1286	1219	380.83
3	A₁	1176	1114	196.89
4	A₁	791	750	2.45
5	A₁	676	641	4.37
6	A₁	553	524	7.80
7	A₁	387	367	0.03
8	A₁	317	301	0.56
9	A₁	154	146	0.94
10	A₂	1237	1173	0.00
11	A₂	578	548	0.00
12	A₂	353	335	0.00
13	A₂	231	219	0.00
14	A₂	20	19	0.00
15	B₁	1286	1219	584.70
16	B₁	1233	1169	134.93
17	B₁	631	598	0.92
18	B₁	469	445	3.03
19	B₁	221	210	4.28
20	B₁	84	80	0.03
21	B₂	1373	1301	152.97
22	B₂	1224	1160	57.66
23	B₂	1026	972	240.41
24	B₂	742	704	51.63
25	B₂	547	519	7.00
26	B₂	342	324	0.08
27	B₂	274	259	3.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.590
C2	0.000	1.314	-0.236
C3	0.000	-1.314	-0.236
F4	1.097	0.000	1.368
F5	-1.097	0.000	1.368
F6	0.000	2.347	0.603
F7	0.000	-2.347	0.603
F8	1.084	1.385	-1.005
F9	-1.084	1.385	-1.005
F10	-1.084	-1.385	-1.005
F11	1.084	-1.385	-1.005

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5524	1.5524	1.3449	1.3449	2.3475	2.3475	2.3742	2.3742	2.3742	2.3742
C2	1.5524		2.6288	2.3463	2.3463	1.3308	3.7567	1.3311	1.3311	3.0086	3.0086
C3	1.5524	2.6288		2.3463	2.3463	3.7567	1.3308	3.0086	3.0086	1.3311	1.3311
F4	1.3449	2.3463	2.3463		2.1934	2.7018	2.7018	2.7479	3.5082	3.5082	2.7479
F5	1.3449	2.3463	2.3463	2.1934		2.7018	2.7018	3.5082	2.7479	2.7479	3.5082
F6	2.3475	1.3308	3.7567	2.7018	2.7018		4.6949	2.1652	2.1652	4.2058	4.2058
F7	2.3475	3.7567	1.3308	2.7018	2.7018	4.6949		4.2058	4.2058	2.1652	2.1652
F8	2.3742	1.3311	3.0086	2.7479	3.5082	2.1652	4.2058		2.1684	3.5172	2.7692
F9	2.3742	1.3311	3.0086	3.5082	2.7479	2.1652	4.2058	2.1684		2.7692	3.5172
F10	2.3742	3.0086	1.3311	3.5082	2.7479	4.2058	2.1652	3.5172	2.7692		2.1684
F11	2.3742	3.0086	1.3311	2.7479	3.5082	4.2058	2.1652	2.7692	3.5172	2.1684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.776	C1	C2	F8	110.613
C1	C2	F9	110.613	C1	C3	F7	108.776
C1	C3	F10	110.613	C1	C3	F11	110.613
C2	C1	C3	115.708	C2	C1	F4	107.938
C2	C1	F5	107.938	C3	C1	F4	107.938
C3	C1	F5	107.938	F4	C1	F5	109.261
F6	C2	F8	108.860	F6	C2	F9	108.860
F7	C3	F10	108.860	F7	C3	F11	108.860
F8	C2	F9	109.081	F10	C3	F11	109.081

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)