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	hartrees
Energy at 0K	-712.070086
Energy at 298.15K
HF Energy	-710.456925
Nuclear repulsion energy	510.469647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1844	1748	160.01
2	A'	1424	1350	241.29
3	A'	1359	1289	224.71
4	A'	1238	1174	49.62
5	A'	1233	1169	294.95
6	A'	1054	999	290.12
7	A'	778	738	14.80
8	A'	666	631	12.88
9	A'	613	581	0.31
10	A'	522	495	3.75
11	A'	377	357	0.41
12	A'	368	349	1.11
13	A'	263	249	1.24
14	A'	179	169	1.69
15	A"	1195	1133	320.94
16	A"	661	627	2.50
17	A"	571	542	0.90
18	A"	469	445	2.90
19	A"	246	233	1.02
20	A"	125	119	0.41
21	A"	35	33	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.422	0.000
C2	-0.501	0.179	0.000
C3	0.280	-1.099	0.000
F4	-0.805	2.474	0.000
F5	1.245	1.746	0.000
F6	-1.829	-0.008	0.000
F7	1.596	-0.878	0.000
F8	-0.023	-1.834	1.080
F9	-0.023	-1.834	-1.080

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3316	2.5393	1.3109	1.3091	2.3030	2.8124	3.4302	3.4302
C2	1.3316		1.4977	2.3155	2.3463	1.3411	2.3479	2.3336	2.3336
C3	2.5393	1.4977		3.7346	3.0047	2.3747	1.3345	1.3408	1.3408
F4	1.3109	2.3155	3.7346		2.1754	2.6848	4.1230	4.5098	4.5098
F5	1.3091	2.3463	3.0047	2.1754		3.5391	2.6473	3.9487	3.9487
F6	2.3030	1.3411	2.3747	2.6848	3.5391		3.5337	2.7862	2.7862
F7	2.8124	2.3479	1.3345	4.1230	2.6473	3.5337		2.1684	2.1684
F8	3.4302	2.3336	1.3408	4.5098	3.9487	2.7862	2.1684		2.1598
F9	3.4302	2.3336	1.3408	4.5098	3.9487	2.7862	2.1684	2.1598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.561	C1	C2	F6	119.009
C2	C1	F4	122.381	C2	C1	F5	125.366
C2	C3	F7	111.862	C2	C3	F8	110.475
C2	C3	F9	110.475	C3	C2	F6	113.430
F4	C1	F5	112.254	F7	C3	F8	108.290
F7	C3	F9	108.290	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: MP2/TZVP

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: MP2/TZVP

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)