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	hartrees
Energy at 0K	-711.051806
Energy at 298.15K
HF Energy	-710.093395
Nuclear repulsion energy	490.362697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1762	1701	125.44
2	A'	1316	1271	142.55
3	A'	1202	1160	187.61
4	A'	1099	1061	55.24
5	A'	1072	1035	192.10
6	A'	927	895	246.86
7	A'	668	645	10.17
8	A'	583	563	16.37
9	A'	540	521	2.06
10	A'	449	434	8.79
11	A'	341	329	3.05
12	A'	328	317	0.45
13	A'	240	232	2.03
14	A'	166	160	3.37
15	A"	1040	1003	282.41
16	A"	612	591	2.95
17	A"	502	485	1.46
18	A"	408	394	8.09
19	A"	229	221	3.18
20	A"	123	119	1.18
21	A"	30	29	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.029	1.452	0.000
C2	-0.503	0.182	0.000
C3	0.281	-1.113	0.000
F4	-0.854	2.557	0.000
F5	1.303	1.811	0.000
F6	-1.899	-0.021	0.000
F7	1.674	-0.896	0.000
F8	-0.029	-1.899	1.137
F9	-0.029	-1.899	-1.137

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3563	2.5844	1.3792	1.3787	2.3808	2.9010	3.5389	3.5389
C2	1.3563		1.5136	2.4015	2.4316	1.4108	2.4291	2.4177	2.4177
C3	2.5844	1.5136		3.8422	3.0974	2.4381	1.4101	1.4160	1.4160
F4	1.3792	2.4015	3.8422		2.2826	2.7818	4.2802	4.6724	4.6724
F5	1.3787	2.4316	3.0974	2.2826		3.6884	2.7323	4.1020	4.1020
F6	2.3808	1.4108	2.4381	2.7818	3.6884		3.6786	2.8836	2.8836
F7	2.9010	2.4291	1.4101	4.2802	2.7323	3.6786		2.2799	2.2799
F8	3.5389	2.4177	1.4160	4.6724	4.1020	2.8836	2.2799		2.2732
F9	3.5389	2.4177	1.4160	4.6724	4.1020	2.8836	2.2799	2.2732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.371	C1	C2	F6	118.711
C2	C1	F4	122.775	C2	C1	F5	125.513
C2	C3	F7	112.320	C2	C3	F8	111.187
C2	C3	F9	111.187	C3	C2	F6	112.918
F4	C1	F5	111.712	F7	C3	F8	107.556
F7	C3	F9	107.556	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)