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	hartrees
Energy at 0K	-712.922526
Energy at 298.15K
HF Energy	-712.392665
Nuclear repulsion energy	507.519585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1840	1770	164.70
2	A'	1402	1348	190.38
3	A'	1320	1269	225.66
4	A'	1197	1151	159.69
5	A'	1184	1138	166.26
6	A'	1020	981	296.54
7	A'	750	721	10.35
8	A'	644	620	14.32
9	A'	590	568	0.28
10	A'	500	481	3.56
11	A'	366	352	0.59
12	A'	358	344	1.02
13	A'	254	245	0.99
14	A'	172	165	1.33
15	A"	1138	1095	293.21
16	A"	655	630	1.77
17	A"	562	541	0.87
18	A"	453	436	2.55
19	A"	244	235	0.82
20	A"	125	120	0.38
21	A"	37	35	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.427	0.000
C2	-0.500	0.178	0.000
C3	0.280	-1.101	0.000
F4	-0.813	2.485	0.000
F5	1.251	1.761	0.000
F6	-1.836	-0.012	0.000
F7	1.607	-0.879	0.000
F8	-0.024	-1.846	1.087
F9	-0.024	-1.846	-1.087

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3366	2.5457	1.3202	1.3178	2.3135	2.8247	3.4484	3.4484
C2	1.3366		1.4977	2.3286	2.3604	1.3492	2.3574	2.3458	2.3458
C3	2.5457	1.4977		3.7488	3.0218	2.3797	1.3453	1.3526	1.3526
F4	1.3202	2.3286	3.7488		2.1870	2.6984	4.1445	4.5346	4.5346
F5	1.3178	2.3604	3.0218	2.1870		3.5594	2.6644	3.9770	3.9770
F6	2.3135	1.3492	2.3797	2.6984	3.5594		3.5506	2.7978	2.7978
F7	2.8247	2.3574	1.3453	4.1445	2.6644	3.5506		2.1856	2.1856
F8	3.4484	2.3458	1.3526	4.5346	3.9770	2.7978	2.1856		2.1741
F9	3.4484	2.3458	1.3526	4.5346	3.9770	2.7978	2.1856	2.1741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.746	C1	C2	F6	118.936
C2	C1	F4	122.439	C2	C1	F5	125.556
C2	C3	F7	111.923	C2	C3	F8	110.677
C2	C3	F9	110.677	C3	C2	F6	113.317
F4	C1	F5	112.005	F7	C3	F8	108.211
F7	C3	F9	108.211	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: B2PLYP=FULL/aug-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 C3F6 (hexafluoropropene)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)