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	hartrees
Energy at 0K	-712.615377
Energy at 298.15K
HF Energy	-710.449502
Nuclear repulsion energy	513.296355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1854	1748	157.07
2	A'	1444	1361	206.33
3	A'	1373	1294	225.12
4	A'	1245	1174	170.69
5	A'	1241	1170	152.23
6	A'	1061	1000	280.52
7	A'	782	737	13.02
8	A'	668	630	14.26
9	A'	614	579	0.26
10	A'	521	491	3.50
11	A'	377	355	0.37
12	A'	369	348	1.03
13	A'	259	244	1.17
14	A'	177	167	1.22
15	A"	1197	1128	292.80
16	A"	683	644	2.17
17	A"	588	554	0.62
18	A"	475	448	2.52
19	A"	254	239	0.79
20	A"	129	121	0.34
21	A"	44	42	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.022	1.415	0.000
C2	-0.500	0.175	0.000
C3	0.281	-1.094	0.000
F4	-0.801	2.459	0.000
F5	1.237	1.740	0.000
F6	-1.818	-0.012	0.000
F7	1.588	-0.869	0.000
F8	-0.022	-1.824	1.074
F9	-0.022	-1.824	-1.074

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3292	2.5279	1.3027	1.3001	2.2942	2.7950	3.4132	3.4132
C2	1.3292		1.4900	2.3042	2.3376	1.3314	2.3342	2.3192	2.3192
C3	2.5279	1.4900		3.7147	2.9911	2.3609	1.3264	1.3334	1.3334
F4	1.3027	2.3042	3.7147		2.1613	2.6728	4.0973	4.4845	4.4845
F5	1.3001	2.3376	2.9911	2.1613		3.5216	2.6327	3.9297	3.9297
F6	2.2942	1.3314	2.3609	2.6728	3.5216		3.5118	2.7677	2.7677
F7	2.7950	2.3342	1.3264	4.0973	2.6327	3.5118		2.1582	2.1582
F8	3.4132	2.3192	1.3334	4.4845	3.9297	2.7677	2.1582		2.1476
F9	3.4132	2.3192	1.3334	4.4845	3.9297	2.7677	2.1582	2.1476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.358	C1	C2	F6	119.151
C2	C1	F4	122.210	C2	C1	F5	125.510
C2	C3	F7	111.818	C2	C3	F8	110.332
C2	C3	F9	110.332	C3	C2	F6	113.492
F4	C1	F5	112.280	F7	C3	F8	108.471
F7	C3	F9	108.471	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)