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	hartrees
Energy at 0K	-707.153469
Energy at 298.15K
HF Energy	-706.343343
Nuclear repulsion energy	508.508191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1978	1840	129.46
2	A'	1483	1380	233.75
3	A'	1435	1335	166.63
4	A'	1370	1275	96.47
5	A'	1297	1207	121.18
6	A'	1093	1017	215.93
7	A'	776	722	20.06
8	A'	666	620	20.77
9	A'	616	573	3.52
10	A'	517	481	7.84
11	A'	376	350	3.74
12	A'	369	343	0.17
13	A'	254	236	1.61
14	A'	199	185	3.46
15	A"	1343	1250	271.51
16	A"	743	692	12.44
17	A"	600	558	0.49
18	A"	480	447	10.21
19	A"	257	239	2.92
20	A"	141	131	0.74
21	A"	8	7	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.974	0.988	0.000
C2	-0.238	0.491	0.000
C3	-0.577	-0.951	0.000
F4	1.216	2.304	0.000
F5	2.102	0.277	0.000
F6	-1.321	1.322	0.000
F7	0.539	-1.717	0.000
F8	-1.321	-1.269	1.093
F9	-1.321	-1.269	-1.093

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3100	2.4830	1.3377	1.3331	2.3190	2.7395	3.3990	3.3990
C2	1.3100		1.4810	2.3237	2.3493	1.3646	2.3404	2.3374	2.3374
C3	2.4830	1.4810		3.7157	2.9466	2.3905	1.3539	1.3593	1.3593
F4	1.3377	2.3237	3.7157		2.2122	2.7202	4.0770	4.5156	4.5156
F5	1.3331	2.3493	2.9466	2.2122		3.5783	2.5328	3.9107	3.9107
F6	2.3190	1.3646	2.3905	2.7202	3.5783		3.5621	2.8113	2.8113
F7	2.7395	2.3404	1.3539	4.0770	2.5328	3.5621		2.2028	2.2028
F8	3.3990	2.3374	1.3593	4.5156	3.9107	2.8113	2.2028		2.1854
F9	3.3990	2.3374	1.3593	4.5156	3.9107	2.8113	2.2028	2.1854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.543	C1	C2	F6	120.223
C2	C1	F4	122.704	C2	C1	F5	125.455
C2	C3	F7	111.213	C2	C3	F8	110.684
C2	C3	F9	110.684	C3	C2	F6	114.234
F4	C1	F5	111.841	F7	C3	F8	108.563
F7	C3	F9	108.563	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: CID/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)