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	hartrees
Energy at 0K	-896.546793
Energy at 298.15K
HF Energy	-896.546793
Nuclear repulsion energy	774.493081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1563	1276	72.70
2	A₁	1451	1185	12.85
3	A₁	1290	1053	79.95
4	A₁	816	666	4.48
5	A₁	662	540	6.43
6	A₁	525	428	20.37
7	A₁	365	298	0.02
8	A₁	305	249	0.57
9	A₁	116	95	0.64
10	A₂	1519	1240	0.00
11	A₂	547	447	0.00
12	A₂	341	278	0.00
13	A₂	195	159	0.00
14	A₂	21i	17i	0.00
15	B₁	1570	1282	27.82
16	B₁	1494	1220	138.60
17	B₁	621	507	3.91
18	B₁	441	360	7.03
19	B₁	170	139	2.86
20	B₁	37	30	0.01
21	B₂	1509	1232	45.16
22	B₂	1406	1148	44.11
23	B₂	1080	881	79.75
24	B₂	710	580	70.20
25	B₂	512	418	12.24
26	B₂	325	265	0.06
27	B₂	239	195	1.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.672
C2	0.000	1.327	-0.245
C3	0.000	-1.327	-0.245
F4	1.118	0.000	1.473
F5	-1.118	0.000	1.473
F6	0.000	2.442	0.550
F7	0.000	-2.442	0.550
F8	1.114	1.353	-1.042
F9	-1.114	1.353	-1.042
F10	-1.114	-1.353	-1.042
F11	1.114	-1.353	-1.042

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.6126	1.6126	1.3760	1.3760	2.4453	2.4453	2.4512	2.4512	2.4512	2.4512
C2	1.6126		2.6531	2.4421	2.4421	1.3704	3.8519	1.3702	1.3702	3.0092	3.0092
C3	1.6126	2.6531		2.4421	2.4421	3.8519	1.3704	3.0092	3.0092	1.3702	1.3702
F4	1.3760	2.4421	2.4421		2.2367	2.8403	2.8403	2.8560	3.6252	3.6252	2.8560
F5	1.3760	2.4421	2.4421	2.2367		2.8403	2.8403	3.6252	2.8560	2.8560	3.6252
F6	2.4453	1.3704	3.8519	2.8403	2.8403		4.8846	2.2282	2.2282	4.2638	4.2638
F7	2.4453	3.8519	1.3704	2.8403	2.8403	4.8846		4.2638	4.2638	2.2282	2.2282
F8	2.4512	1.3702	3.0092	2.8560	3.6252	2.2282	4.2638		2.2288	3.5053	2.7055
F9	2.4512	1.3702	3.0092	3.6252	2.8560	2.2282	4.2638	2.2288		2.7055	3.5053
F10	2.4512	3.0092	1.3702	3.6252	2.8560	4.2638	2.2282	3.5053	2.7055		2.2288
F11	2.4512	3.0092	1.3702	2.8560	3.6252	4.2638	2.2282	2.7055	3.5053	2.2288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.854	C1	C2	F8	110.265
C1	C2	F9	110.265	C1	C3	F7	109.854
C1	C3	F10	110.265	C1	C3	F11	110.265
C2	C1	C3	110.696	C2	C1	F4	109.345
C2	C1	F5	109.345	C3	C1	F4	109.345
C3	C1	F5	109.345	F4	C1	F5	108.736
F6	C2	F8	108.789	F6	C2	F9	108.789
F7	C3	F10	108.789	F7	C3	F11	108.789
F8	C2	F9	108.841	F10	C3	F11	108.841

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: HF/STO-3G

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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Number	Element	Mulliken
1	C	0.244
2	C	0.413
3	C	0.413
4	F	-0.127
5	F	-0.127
6	F	-0.135
7	F	-0.135
8	F	-0.136
9	F	-0.136
10	F	-0.136
11	F	-0.136

<r²>	380.548
(<r²>)^1/2	19.508

All results from a given calculation for C3F8 (perfluoropropane)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)