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	hartrees
Energy at 0K	-711.653212
Energy at 298.15K
HF Energy	-710.204639
Nuclear repulsion energy	507.397240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1882	1779	149.28
2	A'	1439	1361	197.29
3	A'	1360	1286	229.93
4	A'	1250	1182	154.11
5	A'	1225	1158	177.31
6	A'	1041	985	273.94
7	A'	764	722	14.37
8	A'	648	612	16.75
9	A'	598	566	0.64
10	A'	504	477	4.67
11	A'	369	349	0.64
12	A'	360	340	1.18
13	A'	256	242	1.49
14	A'	174	164	1.64
15	A"	1213	1147	310.23
16	A"	641	606	2.91
17	A"	551	521	1.66
18	A"	460	435	4.41
19	A"	244	231	1.33
20	A"	126	119	0.51
21	A"	34	33	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.025	1.426	0.000
C2	-0.496	0.179	0.000
C3	0.282	-1.104	0.000
F4	-0.818	2.486	0.000
F5	1.255	1.761	0.000
F6	-1.835	-0.015	0.000
F7	1.608	-0.882	0.000
F8	-0.025	-1.842	1.088
F9	-0.025	-1.842	-1.088

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3333	2.5481	1.3240	1.3230	2.3135	2.8273	3.4440	3.4440
C2	1.3333		1.4999	2.3297	2.3603	1.3525	2.3567	2.3426	2.3426
C3	2.5481	1.4999		3.7544	3.0257	2.3800	1.3449	1.3498	1.3498
F4	1.3240	2.3297	3.7544		2.1960	2.7000	4.1510	4.5324	4.5324
F5	1.3230	2.3603	3.0257	2.1960		3.5639	2.6668	3.9754	3.9754
F6	2.3135	1.3525	2.3800	2.7000	3.5639		3.5504	2.7919	2.7919
F7	2.8273	2.3567	1.3449	4.1510	2.6668	3.5504		2.1845	2.1845
F8	3.4440	2.3426	1.3498	4.5324	3.9754	2.7919	2.1845		2.1752
F9	3.4440	2.3426	1.3498	4.5324	3.9754	2.7919	2.1845	2.1752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.056	C1	C2	F6	118.944
C2	C1	F4	122.496	C2	C1	F5	125.387
C2	C3	F7	111.755	C2	C3	F8	110.470
C2	C3	F9	110.470	C3	C2	F6	113.000
F4	C1	F5	112.117	F7	C3	F8	108.320
F7	C3	F9	108.320	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: QCISD/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: QCISD/6-31+G**

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)