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	hartrees
Energy at 0K	-712.756202
Energy at 298.15K
HF Energy	-712.290300
Nuclear repulsion energy	509.715796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1865	1769	150.07
2	A'	1439	1365	224.87
3	A'	1374	1303	191.84
4	A'	1257	1192	103.51
5	A'	1241	1177	210.61
6	A'	1055	1000	264.68
7	A'	769	729	12.62
8	A'	654	620	14.83
9	A'	601	570	0.54
10	A'	508	482	3.37
11	A'	370	351	0.80
12	A'	361	343	0.82
13	A'	250	237	1.09
14	A'	179	169	1.58
15	A"	1224	1160	282.77
16	A"	639	606	1.96
17	A"	553	524	1.54
18	A"	460	437	3.24
19	A"	238	226	0.91
20	A"	121	114	0.34
21	A"	28	26	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.418	0.000
C2	-0.504	0.176	0.000
C3	0.278	-1.096	0.000
F4	-0.805	2.478	0.000
F5	1.254	1.734	0.000
F6	-1.836	-0.013	0.000
F7	1.599	-0.862	0.000
F8	-0.023	-1.834	1.083
F9	-0.023	-1.834	-1.083

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3313	2.5314	1.3171	1.3158	2.3086	2.7985	3.4278	3.4278
C2	1.3313		1.4928	2.3217	2.3486	1.3453	2.3453	2.3337	2.3337
C3	2.5314	1.4928		3.7342	2.9931	2.3753	1.3414	1.3455	1.3455
F4	1.3171	2.3217	3.7342		2.1887	2.6956	4.1155	4.5146	4.5146
F5	1.3158	2.3486	2.9931	2.1887		3.5490	2.6193	3.9419	3.9419
F6	2.3086	1.3453	2.3753	2.6956	3.5490		3.5385	2.7888	2.7888
F7	2.7985	2.3453	1.3414	4.1155	2.6193	3.5385		2.1797	2.1797
F8	3.4278	2.3337	1.3455	4.5146	3.9419	2.7888	2.1797		2.1666
F9	3.4278	2.3337	1.3455	4.5146	3.9419	2.7888	2.1797	2.1666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.270	C1	C2	F6	119.201
C2	C1	F4	122.479	C2	C1	F5	125.056
C2	C3	F7	111.570	C2	C3	F8	110.506
C2	C3	F9	110.506	C3	C2	F6	113.529
F4	C1	F5	112.465	F7	C3	F8	108.437
F7	C3	F9	108.437	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

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

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)