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	hartrees
Energy at 0K	-713.574397
Energy at 298.15K
HF Energy	-713.574397
Nuclear repulsion energy	509.842402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1814	1814	167.41
2	A'	1376	1376	222.47
3	A'	1316	1316	216.68
4	A'	1205	1205	160.65
5	A'	1176	1176	161.75
6	A'	1029	1029	310.47
7	A'	758	758	10.86
8	A'	651	651	14.66
9	A'	593	593	0.18
10	A'	504	504	3.17
11	A'	365	365	0.29
12	A'	357	357	1.17
13	A'	248	248	0.89
14	A'	169	169	1.20
15	A"	1128	1128	294.72
16	A"	653	653	1.40
17	A"	564	564	0.74
18	A"	455	455	2.05
19	A"	243	243	0.61
20	A"	122	122	0.31
21	A"	30	30	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.423	0.000
C2	-0.500	0.181	0.000
C3	0.279	-1.099	0.000
F4	-0.804	2.477	0.000
F5	1.243	1.753	0.000
F6	-1.827	-0.004	0.000
F7	1.598	-0.881	0.000
F8	-0.023	-1.841	1.081
F9	-0.023	-1.841	-1.081

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3305	2.5399	1.3112	1.3085	2.3002	2.8174	3.4386	3.4386
C2	1.3305		1.4982	2.3157	2.3474	1.3399	2.3519	2.3418	2.3418
C3	2.5399	1.4982		3.7357	3.0105	2.3736	1.3374	1.3455	1.3455
F4	1.3112	2.3157	3.7357		2.1707	2.6835	4.1283	4.5190	4.5190
F5	1.3085	2.3474	3.0105	2.1707		3.5374	2.6579	3.9613	3.9613
F6	2.3002	1.3399	2.3736	2.6835	3.5374		3.5360	2.7922	2.7922
F7	2.8174	2.3519	1.3374	4.1283	2.6579	3.5360		2.1727	2.1727
F8	3.4386	2.3418	1.3455	4.5190	3.9613	2.7922	2.1727		2.1611
F9	3.4386	2.3418	1.3455	4.5190	3.9613	2.7922	2.1727	2.1611

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: TPSSh/6-311+G(3df,2p)

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: TPSSh/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)