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	hartrees
Energy at 0K	-711.294795
Energy at 298.15K
HF Energy	-710.185062
Nuclear repulsion energy	514.732230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2013	1859	182.09
2	A'	1544	1426	248.31
3	A'	1472	1360	215.49
4	A'	1368	1264	155.78
5	A'	1319	1218	204.84
6	A'	1123	1037	294.39
7	A'	820	757	17.19
8	A'	693	640	18.90
9	A'	638	589	1.20
10	A'	538	497	4.49
11	A'	390	361	0.96
12	A'	383	354	1.26
13	A'	265	245	1.56
14	A'	187	173	1.90
15	A"	1339	1236	314.00
16	A"	705	651	5.15
17	A"	608	562	1.83
18	A"	493	456	5.72
19	A"	258	238	1.58
20	A"	134	124	0.50
21	A"	39	36	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.025	1.407	0.000
C2	-0.496	0.180	0.000
C3	0.279	-1.091	0.000
F4	-0.796	2.457	0.000
F5	1.237	1.727	0.000
F6	-1.815	-0.014	0.000
F7	1.584	-0.869	0.000
F8	-0.025	-1.816	1.071
F9	-0.025	-1.816	-1.071

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3138	2.5165	1.3030	1.3021	2.2850	2.7872	3.3960	3.3960
C2	1.3138		1.4886	2.2963	2.3226	1.3332	2.3295	2.3137	2.3137
C3	2.5165	1.4886		3.7073	2.9767	2.3542	1.3245	1.3280	1.3280
F4	1.3030	2.2963	3.7073		2.1609	2.6720	4.0900	4.4719	4.4719
F5	1.3021	2.3226	2.9767	2.1609		3.5133	2.6188	3.9102	3.9102
F6	2.2850	1.3332	2.3542	2.6720	3.5133		3.5048	2.7564	2.7564
F7	2.7872	2.3295	1.3245	4.0900	2.6188	3.5048		2.1522	2.1522
F8	3.3960	2.3137	1.3280	4.4719	3.9102	2.7564	2.1522		2.1416
F9	3.3960	2.3137	1.3280	4.4719	3.9102	2.7564	2.1522	2.1416

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.674	C1	C2	F6	119.363
C2	C1	F4	122.688	C2	C1	F5	125.216
C2	C3	F7	111.669	C2	C3	F8	110.324
C2	C3	F9	110.324	C3	C2	F6	112.963
F4	C1	F5	112.096	F7	C3	F8	108.463
F7	C3	F9	108.463	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)