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	hartrees
Energy at 0K	-711.632560
Energy at 298.15K
HF Energy	-710.178549
Nuclear repulsion energy	507.920250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	1860	1784
2	A'	1453	1393
3	A'	1377	1321
4	A'	1277	1225
5	A'	1238	1187
6	A'	1049	1006
7	A'	764	733
8	A'	646	620
9	A'	598	574
10	A'	503	482
11	A'	368	353
12	A'	359	344
13	A'	247	237
14	A'	178	171
15	A"	1248	1197
16	A"	622	596
17	A"	520	498
18	A"	456	438
19	A"	235	225
20	A"	119	114
21	A"	34	33

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.423	0.000
C2	-0.504	0.174	0.000
C3	0.280	-1.100	0.000
F4	-0.811	2.488	0.000
F5	1.261	1.741	0.000
F6	-1.841	-0.019	0.000
F7	1.604	-0.866	0.000
F8	-0.024	-1.838	1.087
F9	-0.024	-1.838	-1.087

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3374	2.5416	1.3244	1.3235	2.3200	2.8089	3.4370	3.4370
C2	1.3374		1.4966	2.3337	2.3597	1.3516	2.3509	2.3368	2.3368
C3	2.5416	1.4966		3.7506	3.0062	2.3812	1.3449	1.3483	1.3483
F4	1.3244	2.3337	3.7506		2.2023	2.7104	4.1331	4.5289	4.5289
F5	1.3235	2.3597	3.0062	2.2023		3.5668	2.6298	3.9549	3.9549
F6	2.3200	1.3516	2.3812	2.7104	3.5668		3.5483	2.7914	2.7914
F7	2.8089	2.3509	1.3449	4.1331	2.6298	3.5483		2.1858	2.1858
F8	3.4370	2.3368	1.3483	4.5289	3.9549	2.7914	2.1858		2.1742
F9	3.4370	2.3368	1.3483	4.5289	3.9549	2.7914	2.1858	2.1742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.391	C1	C2	F6	119.259
C2	C1	F4	122.501	C2	C1	F5	124.945
C2	C3	F7	111.541	C2	C3	F8	110.344
C2	C3	F9	110.344	C3	C2	F6	113.350
F4	C1	F5	112.554	F7	C3	F8	108.509
F7	C3	F9	108.509	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: QCISD(T)/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: QCISD(T)/6-31G*

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)