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	hartrees
Energy at 0K	-712.025760
Energy at 298.15K
HF Energy	-710.502863
Nuclear repulsion energy	518.444493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2002	2002	200.96
2	A'	1536	1536	270.70
3	A'	1472	1472	220.93
4	A'	1362	1362	193.79
5	A'	1329	1329	193.45
6	A'	1135	1135	311.18
7	A'	836	836	18.34
8	A'	712	712	18.56
9	A'	652	652	0.84
10	A'	555	555	4.18
11	A'	398	398	0.26
12	A'	389	389	1.58
13	A'	274	274	1.33
14	A'	186	186	1.55
15	A"	1322	1322	326.27
16	A"	759	759	4.67
17	A"	633	633	0.32
18	A"	509	509	3.97
19	A"	271	271	1.08
20	A"	141	141	0.40
21	A"	45	45	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.404	0.000
C2	-0.498	0.184	0.000
C3	0.278	-1.090	0.000
F4	-0.783	2.443	0.000
F5	1.222	1.722	0.000
F6	-1.802	-0.004	0.000
F7	1.570	-0.876	0.000
F8	-0.023	-1.809	1.060
F9	-0.023	-1.809	-1.060

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3090	2.5114	1.2877	1.2857	2.2683	2.7803	3.3826	3.3826
C2	1.3090		1.4909	2.2776	2.3080	1.3177	2.3227	2.3060	2.3060
C3	2.5114	1.4909		3.6888	2.9667	2.3461	1.3094	1.3154	1.3154
F4	1.2877	2.2776	3.6888		2.1307	2.6510	4.0678	4.4475	4.4475
F5	1.2857	2.3080	2.9667	2.1307		3.4824	2.6211	3.8916	3.8916
F6	2.2683	1.3177	2.3461	2.6510	3.4824		3.4822	2.7467	2.7467
F7	2.7803	2.3227	1.3094	4.0678	2.6211	3.4822		2.1285	2.1285
F8	3.3826	2.3060	1.3154	4.4475	3.8916	2.7467	2.1285		2.1193
F9	3.3826	2.3060	1.3154	4.4475	3.8916	2.7467	2.1285	2.1193

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.406	C1	C2	F6	119.441
C2	C1	F4	122.591	C2	C1	F5	125.621
C2	C3	F7	111.918	C2	C3	F8	110.357
C2	C3	F9	110.357	C3	C2	F6	113.153
F4	C1	F5	111.788	F7	C3	F8	108.368
F7	C3	F9	108.368	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: CISD/Def2TZVPP

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: CISD/Def2TZVPP

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)