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	hartrees
Energy at 0K	-712.395118
Energy at 298.15K
HF Energy	-710.461669
Nuclear repulsion energy	513.235458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1908	1782	150.86
2	A'	1472	1374	225.41
3	A'	1406	1313	200.73
4	A'	1302	1216	161.88
5	A'	1271	1186	170.14
6	A'	1082	1010	269.39
7	A'	797	744	17.66
8	A'	677	632	14.95
9	A'	623	582	0.68
10	A'	529	494	3.85
11	A'	381	356	0.30
12	A'	372	347	1.13
13	A'	263	245	1.33
14	A'	178	167	1.44
15	A"	1265	1182	294.14
16	A"	691	645	3.17
17	A"	592	553	0.47
18	A"	484	452	3.66
19	A"	257	240	1.09
20	A"	132	123	0.38
21	A"	41	38	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.416	0.000
C2	-0.501	0.181	0.000
C3	0.280	-1.099	0.000
F4	-0.795	2.467	0.000
F5	1.238	1.738	0.000
F6	-1.819	-0.008	0.000
F7	1.586	-0.878	0.000
F8	-0.023	-1.825	1.071
F9	-0.023	-1.825	-1.071

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3249	2.5337	1.3035	1.3018	2.2927	2.8024	3.4139	3.4139
C2	1.3249		1.4994	2.3050	2.3349	1.3319	2.3398	2.3235	2.3235
C3	2.5337	1.4994		3.7245	2.9948	2.3662	1.3237	1.3292	1.3292
F4	1.3035	2.3050	3.7245		2.1598	2.6788	4.1057	4.4903	4.4903
F5	1.3018	2.3349	2.9948	2.1598		3.5214	2.6397	3.9290	3.9290
F6	2.2927	1.3319	2.3662	2.6788	3.5214		3.5143	2.7703	2.7703
F7	2.8024	2.3398	1.3237	4.1057	2.6397	3.5143		2.1522	2.1522
F8	3.4139	2.3235	1.3292	4.4903	3.9290	2.7703	2.1522		2.1426
F9	3.4139	2.3235	1.3292	4.4903	3.9290	2.7703	2.1522	2.1426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.455	C1	C2	F6	119.297
C2	C1	F4	122.551	C2	C1	F5	125.463
C2	C3	F7	111.804	C2	C3	F8	110.311
C2	C3	F9	110.311	C3	C2	F6	113.248
F4	C1	F5	111.986	F7	C3	F8	108.437
F7	C3	F9	108.437	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: CCD/cc-pVTZ

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: CCD/cc-pVTZ

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)