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	hartrees
Energy at 0K	-711.707599
Energy at 298.15K
HF Energy	-710.217675
Nuclear repulsion energy	508.998456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1862	1773	152.96
2	A'	1454	1385	231.04
3	A'	1377	1311	217.74
4	A'	1259	1200	151.95
5	A'	1234	1175	194.50
6	A'	1049	999	284.38
7	A'	772	735	14.24
8	A'	661	629	14.27
9	A'	609	580	0.55
10	A'	516	492	3.85
11	A'	374	356	0.90
12	A'	366	348	0.64
13	A'	252	240	1.17
14	A'	181	172	1.66
15	A"	1224	1166	319.63
16	A"	665	634	3.86
17	A"	582	555	0.78
18	A"	473	451	3.19
19	A"	249	237	0.95
20	A"	128	122	0.30
21	A"	38	36	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.021	1.424	0.000
C2	-0.509	0.173	0.000
C3	0.279	-1.100	0.000
F4	-0.799	2.486	0.000
F5	1.254	1.741	0.000
F6	-1.842	-0.015	0.000
F7	1.598	-0.867	0.000
F8	-0.021	-1.838	1.082
F9	-0.021	-1.838	-1.082

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3427	2.5421	1.3160	1.3141	2.3206	2.8053	3.4372	3.4372
C2	1.3427		1.4979	2.3305	2.3596	1.3460	2.3500	2.3357	2.3357
C3	2.5421	1.4979		3.7444	3.0037	2.3832	1.3391	1.3441	1.3441
F4	1.3160	2.3305	3.7444		2.1840	2.7091	4.1211	4.5246	4.5246
F5	1.3141	2.3596	3.0037	2.1840		3.5593	2.6303	3.9509	3.9509
F6	2.3206	1.3460	2.3832	2.7091	3.5593		3.5442	2.7949	2.7949
F7	2.8053	2.3500	1.3391	4.1211	2.6303	3.5442		2.1768	2.1768
F8	3.4372	2.3357	1.3441	4.5246	3.9509	2.7949	2.1768		2.1644
F9	3.4372	2.3357	1.3441	4.5246	3.9509	2.7949	2.1768	2.1644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.912	C1	C2	F6	119.335
C2	C1	F4	122.456	C2	C1	F5	125.270
C2	C3	F7	111.734	C2	C3	F8	110.424
C2	C3	F9	110.424	C3	C2	F6	113.754
F4	C1	F5	112.274	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: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)