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	hartrees
Energy at 0K	-708.757821
Energy at 298.15K
HF Energy	-708.427756
Nuclear repulsion energy	505.611736

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1855	1766	113.24
2	A'	1404	1337	210.92
3	A'	1363	1298	153.39
4	A'	1275	1214	89.02
5	A'	1236	1177	109.68
6	A'	1039	990	195.52
7	A'	737	702	13.72
8	A'	636	605	16.47
9	A'	588	560	2.31
10	A'	493	469	5.66
11	A'	363	346	2.74
12	A'	352	335	0.22
13	A'	242	231	0.94
14	A'	197	187	2.86
15	A"	1242	1183	245.51
16	A"	690	657	7.48
17	A"	568	540	0.12
18	A"	453	431	5.29
19	A"	243	232	1.63
20	A"	133	126	0.43
21	A"	19	18	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.980	0.985	0.000
C2	-0.249	0.496	0.000
C3	-0.581	-0.946	0.000
F4	1.234	2.308	0.000
F5	2.106	0.256	0.000
F6	-1.331	1.337	0.000
F7	0.552	-1.710	0.000
F8	-1.331	-1.274	1.102
F9	-1.331	-1.274	-1.102

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3235	2.4839	1.3472	1.3416	2.3382	2.7296	3.4148	3.4148
C2	1.3235		1.4798	2.3424	2.3677	1.3708	2.3471	2.3485	2.3485
C3	2.4839	1.4798		3.7268	2.9440	2.4038	1.3664	1.3725	1.3725
F4	1.3472	2.3424	3.7268		2.2301	2.7432	4.0763	4.5418	4.5418
F5	1.3416	2.3677	2.9440	2.2301		3.6036	2.5065	3.9206	3.9206
F6	2.3382	1.3708	2.4038	2.7432	3.6036		3.5825	2.8338	2.8338
F7	2.7296	2.3471	1.3664	4.0763	2.5065	3.5825		2.2251	2.2251
F8	3.4148	2.3485	1.3725	4.5418	3.9206	2.8338	2.2251		2.2031
F9	3.4148	2.3485	1.3725	4.5418	3.9206	2.8338	2.2251	2.2031

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.671	C1	C2	F6	120.410
C2	C1	F4	122.582	C2	C1	F5	125.348
C2	C3	F7	111.039	C2	C3	F8	110.791
C2	C3	F9	110.791	C3	C2	F6	114.919
F4	C1	F5	112.069	F7	C3	F8	108.663
F7	C3	F9	108.663	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: B2PLYP=FULL/3-21G

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/3-21G

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)