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	hartrees
Energy at 0K	-910.191998
Energy at 298.15K	-910.194708
HF Energy	-908.998295
Nuclear repulsion energy	763.784786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1240	1197	10.68
2	A₁	1131	1091	272.35
3	A₁	1037	1001	184.60
4	A₁	678	654	1.92
5	A₁	590	570	4.94
6	A₁	470	453	15.49
7	A₁	339	328	0.02
8	A₁	291	281	0.81
9	A₁	142	137	1.87
10	A₂	1068	1031	0.00
11	A₂	497	480	0.00
12	A₂	313	302	0.00
13	A₂	210	202	0.00
14	A₂	17	16	0.00
15	B₁	1114	1076	492.98
16	B₁	1069	1032	53.69
17	B₁	558	538	1.20
18	B₁	404	390	7.20
19	B₁	202	195	7.88
20	B₁	78	75	0.05
21	B₂	1272	1228	91.51
22	B₂	1058	1022	44.71
23	B₂	911	880	238.26
24	B₂	631	609	54.62
25	B₂	466	450	12.41
26	B₂	313	302	0.08
27	B₂	251	243	4.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.587
C2	0.000	1.341	-0.235
C3	0.000	-1.341	-0.235
F4	1.152	0.000	1.418
F5	-1.152	0.000	1.418
F6	0.000	2.432	0.646
F7	0.000	-2.432	0.646
F8	1.140	1.428	-1.051
F9	-1.140	1.428	-1.051
F10	-1.140	-1.428	-1.051
F11	1.140	-1.428	-1.051

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5731	1.5731	1.4205	1.4205	2.4323	2.4323	2.4544	2.4544	2.4544	2.4544
C2	1.5731		2.6816	2.4207	2.4207	1.4020	3.8738	1.4048	1.4048	3.1034	3.1034
C3	1.5731	2.6816		2.4207	2.4207	3.8738	1.4020	3.1034	3.1034	1.4048	1.4048
F4	1.4205	2.4207	2.4207		2.3042	2.7995	2.7995	2.8530	3.6596	3.6596	2.8530
F5	1.4205	2.4207	2.4207	2.3042		2.7995	2.7995	3.6596	2.8530	2.8530	3.6596
F6	2.4323	1.4020	3.8738	2.7995	2.7995		4.8631	2.2775	2.2775	4.3674	4.3674
F7	2.4323	3.8738	1.4020	2.7995	2.7995	4.8631		4.3674	4.3674	2.2775	2.2775
F8	2.4544	1.4048	3.1034	2.8530	3.6596	2.2775	4.3674		2.2800	3.6541	2.8555
F9	2.4544	1.4048	3.1034	3.6596	2.8530	2.2775	4.3674	2.2800		2.8555	3.6541
F10	2.4544	3.1034	1.4048	3.6596	2.8530	4.3674	2.2775	3.6541	2.8555		2.2800
F11	2.4544	3.1034	1.4048	2.8530	3.6596	4.3674	2.2775	2.8555	3.6541	2.2800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.549	C1	C2	F8	110.895
C1	C2	F9	110.895	C1	C3	F7	109.549
C1	C3	F10	110.895	C1	C3	F11	110.895
C2	C1	C3	116.935	C2	C1	F4	107.815
C2	C1	F5	107.815	C3	C1	F4	107.815
C3	C1	F5	107.815	F4	C1	F5	108.393
F6	C2	F8	108.472	F6	C2	F9	108.472
F7	C3	F10	108.472	F7	C3	F11	108.472
F8	C2	F9	108.488	F10	C3	F11	108.488

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)