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	hartrees
Energy at 0K	-712.601938
Energy at 298.15K
HF Energy	-710.501101
Nuclear repulsion energy	514.183079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1903	1903	154.49
2	A'	1474	1474	229.70
3	A'	1411	1411	204.81
4	A'	1304	1304	170.07
5	A'	1277	1277	166.82
6	A'	1086	1086	276.12
7	A'	800	800	17.45
8	A'	680	680	15.72
9	A'	625	625	0.65
10	A'	531	531	3.94
11	A'	383	383	0.28
12	A'	373	373	1.21
13	A'	263	263	1.31
14	A'	179	179	1.45
15	A"	1265	1265	295.40
16	A"	697	697	2.93
17	A"	594	594	0.34
18	A"	485	485	3.44
19	A"	257	257	1.00
20	A"	133	133	0.39
21	A"	40	40	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.022	1.414	0.000
C2	-0.502	0.180	0.000
C3	0.279	-1.097	0.000
F4	-0.792	2.462	0.000
F5	1.236	1.735	0.000
F6	-1.817	-0.006	0.000
F7	1.582	-0.876	0.000
F8	-0.022	-1.823	1.069
F9	-0.022	-1.823	-1.069

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3235	2.5289	1.3005	1.2986	2.2888	2.7960	3.4089	3.4089
C2	1.3235		1.4971	2.3001	2.3314	1.3286	2.3360	2.3208	2.3208
C3	2.5289	1.4971		3.7167	2.9887	2.3632	1.3209	1.3270	1.3270
F4	1.3005	2.3001	3.7167		2.1549	2.6726	4.0963	4.4830	4.4830
F5	1.2986	2.3314	2.9887	2.1549		3.5146	2.6335	3.9220	3.9220
F6	2.2888	1.3286	2.3632	2.6726	3.5146		3.5084	2.7685	2.7685
F7	2.7960	2.3360	1.3209	4.0963	2.6335	3.5084		2.1475	2.1475
F8	3.4089	2.3208	1.3270	4.4830	3.9220	2.7685	2.1475		2.1381
F9	3.4089	2.3208	1.3270	4.4830	3.9220	2.7685	2.1475	2.1381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.319	C1	C2	F6	119.311
C2	C1	F4	122.461	C2	C1	F5	125.529
C2	C3	F7	111.829	C2	C3	F8	110.379
C2	C3	F9	110.379	C3	C2	F6	113.370
F4	C1	F5	112.010	F7	C3	F8	108.390
F7	C3	F9	108.390	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: MP3=FULL/Def2TZVPP

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: MP3=FULL/Def2TZVPP

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)