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	hartrees
Energy at 0K	-910.950865
Energy at 298.15K	-910.954394
HF Energy	-909.145907
Nuclear repulsion energy	792.666768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1409	1332	9.32
2	A₁	1299	1228	364.17
3	A₁	1167	1103	182.29
4	A₁	778	735	2.36
5	A₁	663	627	4.31
6	A₁	535	506	9.79
7	A₁	379	359	0.03
8	A₁	317	300	0.47
9	A₁	151	143	0.79
10	A₂	1250	1182	0.00
11	A₂	561	530	0.00
12	A₂	350	331	0.00
13	A₂	228	216	0.00
14	A₂	32	30	0.00
15	B₁	1296	1225	559.52
16	B₁	1242	1174	117.83
17	B₁	621	587	1.08
18	B₁	458	433	3.67
19	B₁	217	205	3.59
20	B₁	89	84	0.02
21	B₂	1407	1330	122.34
22	B₂	1237	1170	64.11
23	B₂	1018	962	233.74
24	B₂	722	682	54.25
25	B₂	528	499	8.54
26	B₂	339	321	0.03
27	B₂	272	257	3.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.582
C2	0.000	1.313	-0.234
C3	0.000	-1.313	-0.234
F4	1.105	0.000	1.367
F5	-1.105	0.000	1.367
F6	0.000	2.350	0.615
F7	0.000	-2.350	0.615
F8	1.092	1.386	-1.010
F9	-1.092	1.386	-1.010
F10	-1.092	-1.386	-1.010
F11	1.092	-1.386	-1.010

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5462	1.5462	1.3559	1.3559	2.3506	2.3506	2.3766	2.3766	2.3766	2.3766
C2	1.5462		2.6264	2.3475	2.3475	1.3408	3.7608	1.3416	1.3416	3.0133	3.0133
C3	1.5462	2.6264		2.3475	2.3475	3.7608	1.3408	3.0133	3.0133	1.3416	1.3416
F4	1.3559	2.3475	2.3475		2.2110	2.7039	2.7039	2.7516	3.5215	3.5215	2.7516
F5	1.3559	2.3475	2.3475	2.2110		2.7039	2.7039	3.5215	2.7516	2.7516	3.5215
F6	2.3506	1.3408	3.7608	2.7039	2.7039		4.7006	2.1829	2.1829	4.2183	4.2183
F7	2.3506	3.7608	1.3408	2.7039	2.7039	4.7006		4.2183	4.2183	2.1829	2.1829
F8	2.3766	1.3416	3.0133	2.7516	3.5215	2.1829	4.2183		2.1844	3.5291	2.7718
F9	2.3766	1.3416	3.0133	3.5215	2.7516	2.1829	4.2183	2.1844		2.7718	3.5291
F10	2.3766	3.0133	1.3416	3.5215	2.7516	4.2183	2.1829	3.5291	2.7718		2.1844
F11	2.3766	3.0133	1.3416	2.7516	3.5215	4.2183	2.1829	2.7718	3.5291	2.1844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.807	C1	C2	F8	110.565
C1	C2	F9	110.565	C1	C3	F7	108.807
C1	C3	F10	110.565	C1	C3	F11	110.565
C2	C1	C3	116.268	C2	C1	F4	107.798
C2	C1	F5	107.798	C3	C1	F4	107.798
C3	C1	F5	107.798	F4	C1	F5	109.241
F6	C2	F8	108.935	F6	C2	F9	108.935
F7	C3	F10	108.935	F7	C3	F11	108.935
F8	C2	F9	108.998	F10	C3	F11	108.998

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: QCISD/6-31+G**

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: QCISD/6-31+G**

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)