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	hartrees
Energy at 0K	-712.032200
Energy at 298.15K
HF Energy	-710.226914
Nuclear repulsion energy	513.558182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1899	1799	137.41
2	A'	1466	1389	212.92
3	A'	1407	1333	181.63
4	A'	1302	1233	146.84
5	A'	1267	1200	145.70
6	A'	1077	1020	238.67
7	A'	789	748	16.01
8	A'	670	635	14.96
9	A'	618	585	0.71
10	A'	524	496	3.48
11	A'	376	356	0.58
12	A'	369	349	0.90
13	A'	252	239	1.29
14	A'	180	170	1.34
15	A"	1267	1200	257.46
16	A"	670	635	2.99
17	A"	585	555	0.79
18	A"	479	453	3.25
19	A"	249	236	0.95
20	A"	129	122	0.33
21	A"	41	38	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.414	0.000
C2	-0.506	0.179	0.000
C3	0.280	-1.095	0.000
F4	-0.788	2.471	0.000
F5	1.241	1.724	0.000
F6	-1.823	-0.018	0.000
F7	1.584	-0.867	0.000
F8	-0.024	-1.821	1.072
F9	-0.024	-1.821	-1.072

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3266	2.5280	1.3038	1.3023	2.2998	2.7908	3.4083	3.4083
C2	1.3266		1.4972	2.3093	2.3328	1.3314	2.3374	2.3196	2.3196
C3	2.5280	1.4972		3.7225	2.9786	2.3632	1.3243	1.3293	1.3293
F4	1.3038	2.3093	3.7225		2.1622	2.6952	4.0946	4.4892	4.4892
F5	1.3023	2.3328	2.9786	2.1622		3.5248	2.6131	3.9135	3.9135
F6	2.2998	1.3314	2.3632	2.6952	3.5248		3.5117	2.7640	2.7640
F7	2.7908	2.3374	1.3243	4.0946	2.6131	3.5117		2.1551	2.1551
F8	3.4083	2.3196	1.3293	4.4892	3.9135	2.7640	2.1551		2.1430
F9	3.4083	2.3196	1.3293	4.4892	3.9135	2.7640	2.1551	2.1430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.981	C1	C2	F6	119.816
C2	C1	F4	122.781	C2	C1	F5	125.088
C2	C3	F7	111.736	C2	C3	F8	110.165
C2	C3	F9	110.165	C3	C2	F6	113.202
F4	C1	F5	112.131	F7	C3	F8	108.613
F7	C3	F9	108.613	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)