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	hartrees
Energy at 0K	-910.178630
Energy at 298.15K	-910.181342
HF Energy	-908.997418
Nuclear repulsion energy	763.739549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1241	1195	10.80
2	A₁	1132	1090	270.92
3	A₁	1039	1000	183.86
4	A₁	678	653	1.91
5	A₁	590	569	4.92
6	A₁	470	452	15.46
7	A₁	340	327	0.02
8	A₁	291	280	0.81
9	A₁	142	137	1.88
10	A₂	1070	1030	0.00
11	A₂	497	479	0.00
12	A₂	314	302	0.00
13	A₂	210	202	0.00
14	A₂	17	16	0.00
15	B₁	1115	1074	489.26
16	B₁	1071	1031	55.52
17	B₁	558	537	1.20
18	B₁	405	390	7.22
19	B₁	202	195	7.92
20	B₁	78	75	0.05
21	B₂	1274	1227	90.67
22	B₂	1060	1021	44.78
23	B₂	912	878	237.06
24	B₂	631	608	54.31
25	B₂	466	449	12.36
26	B₂	313	302	0.08
27	B₂	252	243	4.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.588
C2	0.000	1.341	-0.235
C3	0.000	-1.341	-0.235
F4	1.152	0.000	1.419
F5	-1.152	0.000	1.419
F6	0.000	2.432	0.646
F7	0.000	-2.432	0.646
F8	1.140	1.428	-1.052
F9	-1.140	1.428	-1.052
F10	-1.140	-1.428	-1.052
F11	1.140	-1.428	-1.052

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5731	1.5731	1.4205	1.4205	2.4323	2.4323	2.4547	2.4547	2.4547	2.4547
C2	1.5731		2.6815	2.4209	2.4209	1.4021	3.8738	1.4049	1.4049	3.1034	3.1034
C3	1.5731	2.6815		2.4209	2.4209	3.8738	1.4021	3.1034	3.1034	1.4049	1.4049
F4	1.4205	2.4209	2.4209		2.3041	2.7996	2.7996	2.8533	3.6599	3.6599	2.8533
F5	1.4205	2.4209	2.4209	2.3041		2.7996	2.7996	3.6599	2.8533	2.8533	3.6599
F6	2.4323	1.4021	3.8738	2.7996	2.7996		4.8632	2.2777	2.2777	4.3675	4.3675
F7	2.4323	3.8738	1.4021	2.7996	2.7996	4.8632		4.3675	4.3675	2.2777	2.2777
F8	2.4547	1.4049	3.1034	2.8533	3.6599	2.2777	4.3675		2.2802	3.6543	2.8556
F9	2.4547	1.4049	3.1034	3.6599	2.8533	2.2777	4.3675	2.2802		2.8556	3.6543
F10	2.4547	3.1034	1.4049	3.6599	2.8533	4.3675	2.2777	3.6543	2.8556		2.2802
F11	2.4547	3.1034	1.4049	2.8533	3.6599	4.3675	2.2777	2.8556	3.6543	2.2802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.539	C1	C2	F8	110.901
C1	C2	F9	110.901	C1	C3	F7	109.539
C1	C3	F10	110.901	C1	C3	F11	110.901
C2	C1	C3	116.918	C2	C1	F4	107.821
C2	C1	F5	107.821	C3	C1	F4	107.821
C3	C1	F5	107.821	F4	C1	F5	108.387
F6	C2	F8	108.470	F6	C2	F9	108.470
F7	C3	F10	108.470	F7	C3	F11	108.470
F8	C2	F9	108.490	F10	C3	F11	108.490

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)