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	hartrees
Energy at 0K	-712.462974
Energy at 298.15K
HF Energy	-710.469137
Nuclear repulsion energy	511.266819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1841	1755	156.28
2	A'	1428	1361	202.05
3	A'	1359	1295	230.05
4	A'	1231	1173	240.37
5	A'	1228	1170	76.50
6	A'	1050	1000	275.59
7	A'	773	737	13.10
8	A'	659	628	14.37
9	A'	606	578	0.29
10	A'	514	490	3.59
11	A'	373	355	0.42
12	A'	364	347	0.96
13	A'	256	244	1.17
14	A'	175	166	1.25
15	A"	1185	1129	291.48
16	A"	666	635	2.10
17	A"	576	549	0.56
18	A"	467	445	2.44
19	A"	249	237	0.76
20	A"	127	121	0.34
21	A"	42	40	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.022	1.419	0.000
C2	-0.502	0.176	0.000
C3	0.279	-1.097	0.000
F4	-0.801	2.470	0.000
F5	1.244	1.742	0.000
F6	-1.827	-0.008	0.000
F7	1.593	-0.870	0.000
F8	-0.022	-1.833	1.078
F9	-0.022	-1.833	-1.078

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3326	2.5337	1.3088	1.3066	2.3011	2.8014	3.4256	3.4256
C2	1.3326		1.4934	2.3141	2.3459	1.3379	2.3414	2.3294	2.3294
C3	2.5337	1.4934		3.7274	2.9987	2.3714	1.3326	1.3395	1.3395
F4	1.3088	2.3141	3.7274		2.1708	2.6824	4.1100	4.5039	4.5039
F5	1.3066	2.3459	2.9987	2.1708		3.5350	2.6361	3.9429	3.9429
F6	2.3011	1.3379	2.3714	2.6824	3.5350		3.5270	2.7838	2.7838
F7	2.8014	2.3414	1.3326	4.1100	2.6361	3.5270		2.1669	2.1669
F8	3.4256	2.3294	1.3395	4.5039	3.9429	2.7838	2.1669		2.1558
F9	3.4256	2.3294	1.3395	4.5039	3.9429	2.7838	2.1669	2.1558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.331	C1	C2	F6	119.011
C2	C1	F4	122.343	C2	C1	F5	125.456
C2	C3	F7	111.770	C2	C3	F8	110.505
C2	C3	F9	110.505	C3	C2	F6	113.659
F4	C1	F5	112.201	F7	C3	F8	108.374
F7	C3	F9	108.374	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: MP2/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)