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	hartrees
Energy at 0K	-712.921375
Energy at 298.15K
HF Energy	-712.333843
Nuclear repulsion energy	512.970515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1858	1858	145.41
2	A'	1432	1432	222.39
3	A'	1377	1377	179.64
4	A'	1252	1252	118.65
5	A'	1249	1249	174.91
6	A'	1062	1062	252.76
7	A'	779	779	13.01
8	A'	665	665	14.51
9	A'	610	610	0.43
10	A'	518	518	3.20
11	A'	373	373	0.56
12	A'	366	366	0.89
13	A'	250	250	1.02
14	A'	179	179	1.33
15	A"	1213	1213	257.58
16	A"	677	677	2.21
17	A"	584	584	0.54
18	A"	472	472	2.61
19	A"	246	246	0.78
20	A"	126	126	0.29
21	A"	33	33	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.414	0.000
C2	-0.507	0.178	0.000
C3	0.279	-1.092	0.000
F4	-0.790	2.470	0.000
F5	1.242	1.724	0.000
F6	-1.825	-0.015	0.000
F7	1.588	-0.863	0.000
F8	-0.024	-1.824	1.074
F9	-0.024	-1.824	-1.074

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3277	2.5247	1.3046	1.3026	2.2999	2.7900	3.4119	3.4119
C2	1.3277		1.4937	2.3097	2.3344	1.3319	2.3395	2.3229	2.3229
C3	2.5247	1.4937		3.7192	2.9761	2.3636	1.3287	1.3348	1.3348
F4	1.3046	2.3097	3.7192		2.1642	2.6926	4.0945	4.4924	4.4924
F5	1.3026	2.3344	2.9761	2.1642		3.5257	2.6101	3.9170	3.9170
F6	2.2999	1.3319	2.3636	2.6926	3.5257		3.5167	2.7697	2.7697
F7	2.7900	2.3395	1.3287	4.0945	2.6101	3.5167		2.1620	2.1620
F8	3.4119	2.3229	1.3348	4.4924	3.9170	2.7697	2.1620		2.1490
F9	3.4119	2.3229	1.3348	4.4924	3.9170	2.7697	2.1620	2.1490

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.873	C1	C2	F6	119.706
C2	C1	F4	122.668	C2	C1	F5	125.113
C2	C3	F7	111.839	C2	C3	F8	110.295
C2	C3	F9	110.295	C3	C2	F6	113.420
F4	C1	F5	112.219	F7	C3	F8	108.526
F7	C3	F9	108.526	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)