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	hartrees
Energy at 0K	-711.992118
Energy at 298.15K
HF Energy	-710.372533
Nuclear repulsion energy	511.292664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1888	1888	152.92
2	A'	1459	1459	230.80
3	A'	1389	1389	220.06
4	A'	1289	1289	149.80
5	A'	1249	1249	190.07
6	A'	1066	1066	282.07
7	A'	786	786	17.48
8	A'	669	669	15.08
9	A'	616	616	0.79
10	A'	523	523	4.04
11	A'	377	377	0.51
12	A'	370	370	1.25
13	A'	262	262	1.51
14	A'	180	180	1.81
15	A"	1256	1256	313.50
16	A"	673	673	3.78
17	A"	582	582	0.87
18	A"	480	480	4.44
19	A"	253	253	1.36
20	A"	130	130	0.41
21	A"	38	38	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.422	0.000
C2	-0.500	0.179	0.000
C3	0.282	-1.102	0.000
F4	-0.803	2.473	0.000
F5	1.243	1.746	0.000
F6	-1.825	-0.015	0.000
F7	1.594	-0.880	0.000
F8	-0.024	-1.829	1.077
F9	-0.024	-1.829	-1.077

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3312	2.5422	1.3090	1.3077	2.3044	2.8134	3.4243	3.4243
C2	1.3312		1.5010	2.3144	2.3445	1.3389	2.3468	2.3275	2.3275
C3	2.5422	1.5010		3.7364	3.0059	2.3710	1.3303	1.3346	1.3346
F4	1.3090	2.3144	3.7364		2.1717	2.6903	4.1221	4.5029	4.5029
F5	1.3077	2.3445	3.0059	2.1717		3.5380	2.6496	3.9428	3.9428
F6	2.3044	1.3389	2.3710	2.6903	3.5380		3.5268	2.7736	2.7736
F7	2.8134	2.3468	1.3303	4.1221	2.6496	3.5268		2.1625	2.1625
F8	3.4243	2.3275	1.3346	4.5029	3.9428	2.7736	2.1625		2.1531
F9	3.4243	2.3275	1.3346	4.5029	3.9428	2.7736	2.1625	2.1531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.589	C1	C2	F6	119.322
C2	C1	F4	122.469	C2	C1	F5	125.350
C2	C3	F7	111.826	C2	C3	F8	110.197
C2	C3	F9	110.197	C3	C2	F6	113.089
F4	C1	F5	112.182	F7	C3	F8	108.479
F7	C3	F9	108.479	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: CCSD/6-311G**

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: CCSD/6-311G**

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)