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	hartrees
Energy at 0K	-712.756241
Energy at 298.15K
HF Energy	-712.290343
Nuclear repulsion energy	509.733149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1865	1865	149.93
2	A'	1439	1439	225.02
3	A'	1374	1374	192.37
4	A'	1257	1257	104.21
5	A'	1241	1241	209.58
6	A'	1055	1055	264.43
7	A'	769	769	12.70
8	A'	654	654	14.84
9	A'	601	601	0.54
10	A'	508	508	3.38
11	A'	370	370	0.83
12	A'	362	362	0.78
13	A'	250	250	1.09
14	A'	181	181	1.59
15	A"	1224	1224	282.79
16	A"	639	639	1.98
17	A"	553	553	1.54
18	A"	461	461	3.24
19	A"	239	239	0.90
20	A"	122	122	0.33
21	A"	33	33	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.417	0.000
C2	-0.504	0.176	0.000
C3	0.278	-1.096	0.000
F4	-0.804	2.478	0.000
F5	1.254	1.733	0.000
F6	-1.836	-0.012	0.000
F7	1.599	-0.862	0.000
F8	-0.023	-1.835	1.083
F9	-0.023	-1.835	-1.083

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3313	2.5309	1.3171	1.3158	2.3088	2.7973	3.4276	3.4276
C2	1.3313		1.4929	2.3216	2.3487	1.3453	2.3451	2.3339	2.3339
C3	2.5309	1.4929		3.7339	2.9924	2.3757	1.3414	1.3454	1.3454
F4	1.3171	2.3216	3.7339		2.1885	2.6959	4.1142	4.5147	4.5147
F5	1.3158	2.3487	2.9924	2.1885		3.5492	2.6176	3.9412	3.9412
F6	2.3088	1.3453	2.3757	2.6959	3.5492		3.5386	2.7896	2.7896
F7	2.7973	2.3451	1.3414	4.1142	2.6176	3.5386		2.1797	2.1797
F8	3.4276	2.3339	1.3454	4.5147	3.9412	2.7896	2.1797		2.1664
F9	3.4276	2.3339	1.3454	4.5147	3.9412	2.7896	2.1797	2.1664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.225	C1	C2	F6	119.217
C2	C1	F4	122.479	C2	C1	F5	125.067
C2	C3	F7	111.552	C2	C3	F8	110.521
C2	C3	F9	110.521	C3	C2	F6	113.559
F4	C1	F5	112.454	F7	C3	F8	108.434
F7	C3	F9	108.434	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: B2PLYP=FULLultrafine/6-31G**

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=FULLultrafine/6-31G**

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)