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	hartrees
Energy at 0K	-712.808349
Energy at 298.15K
HF Energy	-712.328574
Nuclear repulsion energy	508.136743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1846	1846	168.76
2	A'	1409	1409	219.55
3	A'	1339	1339	230.76
4	A'	1214	1214	91.56
5	A'	1208	1208	254.66
6	A'	1034	1034	299.90
7	A'	759	759	11.56
8	A'	648	648	15.76
9	A'	594	594	0.35
10	A'	503	503	4.07
11	A'	368	368	0.58
12	A'	359	359	1.15
13	A'	255	255	1.12
14	A'	173	173	1.54
15	A"	1166	1166	318.56
16	A"	646	646	2.36
17	A"	558	558	1.23
18	A"	457	457	3.32
19	A"	243	243	1.01
20	A"	125	125	0.42
21	A"	34	34	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.424	0.000
C2	-0.498	0.178	0.000
C3	0.280	-1.100	0.000
F4	-0.813	2.482	0.000
F5	1.251	1.756	0.000
F6	-1.833	-0.010	0.000
F7	1.605	-0.878	0.000
F8	-0.024	-1.843	1.086
F9	-0.024	-1.843	-1.086

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3333	2.5428	1.3193	1.3178	2.3088	2.8203	3.4431	3.4431
C2	1.3333		1.4965	2.3249	2.3560	1.3484	2.3538	2.3430	2.3430
C3	2.5428	1.4965		3.7449	3.0171	2.3778	1.3444	1.3503	1.3503
F4	1.3193	2.3249	3.7449		2.1883	2.6923	4.1394	4.5283	4.5283
F5	1.3178	2.3560	3.0171	2.1883		3.5545	2.6574	3.9698	3.9698
F6	2.3088	1.3484	2.3778	2.6923	3.5545		3.5467	2.7954	2.7954
F7	2.8203	2.3538	1.3444	4.1394	2.6574	3.5467		2.1832	2.1832
F8	3.4431	2.3430	1.3503	4.5283	3.9698	2.7954	2.1832		2.1721
F9	3.4431	2.3430	1.3503	4.5283	3.9698	2.7954	2.1832	2.1721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.847	C1	C2	F6	118.849
C2	C1	F4	122.433	C2	C1	F5	125.414
C2	C3	F7	111.787	C2	C3	F8	110.674
C2	C3	F9	110.674	C3	C2	F6	113.304
F4	C1	F5	112.153	F7	C3	F8	108.228
F7	C3	F9	108.228	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

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

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=FULLultrafine/6-31+G**

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)