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	hartrees
Energy at 0K	-911.385677
Energy at 298.15K	-911.389341
HF Energy	-909.361879
Nuclear repulsion energy	798.308661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1420	1350	9.16
2	A₁	1302	1237	395.20
3	A₁	1181	1122	190.35
4	A₁	792	753	2.51
5	A₁	676	642	4.12
6	A₁	551	523	8.74
7	A₁	390	371	0.04
8	A₁	324	308	0.53
9	A₁	158	151	0.97
10	A₂	1254	1192	0.00
11	A₂	575	547	0.00
12	A₂	357	339	0.00
13	A₂	232	220	0.00
14	A₂	28	26	0.00
15	B₁	1303	1238	610.81
16	B₁	1246	1184	109.59
17	B₁	632	600	1.08
18	B₁	471	447	3.19
19	B₁	223	212	4.40
20	B₁	92	87	0.04
21	B₂	1412	1342	142.79
22	B₂	1239	1177	61.97
23	B₂	1033	982	251.44
24	B₂	740	703	52.25
25	B₂	544	517	7.46
26	B₂	346	328	0.07
27	B₂	276	262	3.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.541
C2	0.000	1.320	-0.230
C3	0.000	-1.320	-0.230
F4	1.108	0.000	1.322
F5	-1.108	0.000	1.322
F6	0.000	2.336	0.651
F7	0.000	-2.336	0.651
F8	1.085	1.460	-1.000
F9	-1.085	1.460	-1.000
F10	-1.085	-1.460	-1.000
F11	1.085	-1.460	-1.000

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5284	1.5284	1.3553	1.3553	2.3387	2.3387	2.3837	2.3837	2.3837	2.3837
C2	1.5284		2.6396	2.3187	2.3187	1.3446	3.7604	1.3375	1.3375	3.0817	3.0817
C3	1.5284	2.6396		2.3187	2.3187	3.7604	1.3446	3.0817	3.0817	1.3375	1.3375
F4	1.3553	2.3187	2.3187		2.2155	2.6712	2.6712	2.7428	3.5112	3.5112	2.7428
F5	1.3553	2.3187	2.3187	2.2155		2.6712	2.6712	3.5112	2.7428	2.7428	3.5112
F6	2.3387	1.3446	3.7604	2.6712	2.6712		4.6723	2.1604	2.1604	4.2792	4.2792
F7	2.3387	3.7604	1.3446	2.6712	2.6712	4.6723		4.2792	4.2792	2.1604	2.1604
F8	2.3837	1.3375	3.0817	2.7428	3.5112	2.1604	4.2792		2.1691	3.6376	2.9202
F9	2.3837	1.3375	3.0817	3.5112	2.7428	2.1604	4.2792	2.1691		2.9202	3.6376
F10	2.3837	3.0817	1.3375	3.5112	2.7428	4.2792	2.1604	3.6376	2.9202		2.1691
F11	2.3837	3.0817	1.3375	2.7428	3.5112	4.2792	2.1604	2.9202	3.6376	2.1691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.822	C1	C2	F8	112.389
C1	C2	F9	112.389	C1	C3	F7	108.822
C1	C3	F10	112.389	C1	C3	F11	112.389
C2	C1	C3	119.435	C2	C1	F4	106.891
C2	C1	F5	106.891	C3	C1	F4	106.891
C3	C1	F5	106.891	F4	C1	F5	109.632
F6	C2	F8	107.317	F6	C2	F9	107.317
F7	C3	F10	107.317	F7	C3	F11	107.317
F8	C2	F9	108.362	F10	C3	F11	108.362

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)