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	hartrees
Energy at 0K	-911.037023
Energy at 298.15K	-911.040709
HF Energy	-909.162492
Nuclear repulsion energy	797.932383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1451	1388	10.56
2	A₁	1348	1290	387.95
3	A₁	1197	1145	201.90
4	A₁	797	763	3.18
5	A₁	681	651	3.58
6	A₁	555	531	10.95
7	A₁	389	372	0.06
8	A₁	325	311	0.57
9	A₁	156	149	1.04
10	A₂	1301	1245	0.00
11	A₂	579	554	0.00
12	A₂	356	340	0.00
13	A₂	227	217	0.00
14	A₂	24	23	0.00
15	B₁	1346	1288	591.27
16	B₁	1287	1231	129.05
17	B₁	636	608	1.78
18	B₁	472	451	3.89
19	B₁	217	208	4.78
20	B₁	88	84	0.04
21	B₂	1438	1376	151.70
22	B₂	1286	1230	65.43
23	B₂	1040	995	244.39
24	B₂	744	712	57.01
25	B₂	548	524	9.00
26	B₂	345	330	0.04
27	B₂	272	260	3.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.590
C2	0.000	1.304	-0.235
C3	0.000	-1.304	-0.235
F4	1.098	0.000	1.368
F5	-1.098	0.000	1.368
F6	0.000	2.340	0.600
F7	0.000	-2.340	0.600
F8	1.084	1.368	-1.004
F9	-1.084	1.368	-1.004
F10	-1.084	-1.368	-1.004
F11	1.084	-1.368	-1.004

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5436	1.5436	1.3453	1.3453	2.3403	2.3403	2.3642	2.3642	2.3642	2.3642
C2	1.5436		2.6089	2.3401	2.3401	1.3302	3.7391	1.3306	1.3306	2.9850	2.9850
C3	1.5436	2.6089		2.3401	2.3401	3.7391	1.3302	2.9850	2.9850	1.3306	1.3306
F4	1.3453	2.3401	2.3401		2.1955	2.6967	2.6967	2.7385	3.5012	3.5012	2.7385
F5	1.3453	2.3401	2.3401	2.1955		2.6967	2.6967	3.5012	2.7385	2.7385	3.5012
F6	2.3403	1.3302	3.7391	2.6967	2.6967		4.6805	2.1660	2.1660	4.1833	4.1833
F7	2.3403	3.7391	1.3302	2.6967	2.6967	4.6805		4.1833	4.1833	2.1660	2.1660
F8	2.3642	1.3306	2.9850	2.7385	3.5012	2.1660	4.1833		2.1677	3.4911	2.7366
F9	2.3642	1.3306	2.9850	3.5012	2.7385	2.1660	4.1833	2.1677		2.7366	3.4911
F10	2.3642	2.9850	1.3306	3.5012	2.7385	4.1833	2.1660	3.4911	2.7366		2.1677
F11	2.3642	2.9850	1.3306	2.7385	3.5012	4.1833	2.1660	2.7366	3.4911	2.1677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.820	C1	C2	F8	110.463
C1	C2	F9	110.463	C1	C3	F7	108.820
C1	C3	F10	110.463	C1	C3	F11	110.463
C2	C1	C3	115.361	C2	C1	F4	108.002
C2	C1	F5	108.002	C3	C1	F4	108.002
C3	C1	F5	108.002	F4	C1	F5	109.373
F6	C2	F8	108.987	F6	C2	F9	108.987
F7	C3	F10	108.987	F7	C3	F11	108.987
F8	C2	F9	109.088	F10	C3	F11	109.088

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)