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	hartrees
Energy at 0K	-712.152160
Energy at 298.15K
HF Energy	-710.371845
Nuclear repulsion energy	511.195668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1857	1762	158.32
2	A'	1448	1373	229.73
3	A'	1375	1304	233.37
4	A'	1257	1193	141.62
5	A'	1240	1176	196.77
6	A'	1058	1004	287.59
7	A'	779	739	14.66
8	A'	666	632	13.94
9	A'	613	581	0.49
10	A'	521	494	3.73
11	A'	377	357	0.63
12	A'	370	351	0.99
13	A'	260	247	1.25
14	A'	181	172	1.68
15	A"	1220	1157	316.80
16	A"	671	637	3.28
17	A"	584	554	0.81
18	A"	477	453	3.32
19	A"	252	239	1.05
20	A"	128	122	0.32
21	A"	38	36	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.420	0.000
C2	-0.501	0.174	0.000
C3	0.282	-1.097	0.000
F4	-0.806	2.469	0.000
F5	1.244	1.745	0.000
F6	-1.827	-0.017	0.000
F7	1.596	-0.872	0.000
F8	-0.023	-1.829	1.078
F9	-0.023	-1.829	-1.078

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3342	2.5357	1.3092	1.3075	2.3061	2.8066	3.4232	3.4232
C2	1.3342		1.4930	2.3152	2.3471	1.3397	2.3435	2.3246	2.3246
C3	2.5357	1.4930		3.7287	3.0003	2.3692	1.3333	1.3383	1.3383
F4	1.3092	2.3152	3.7287		2.1741	2.6874	4.1155	4.5000	4.5000
F5	1.3075	2.3471	3.0003	2.1741		3.5398	2.6408	3.9418	3.9418
F6	2.3061	1.3397	2.3692	2.6874	3.5398		3.5280	2.7748	2.7748
F7	2.8066	2.3435	1.3333	4.1155	2.6408	3.5280		2.1676	2.1676
F8	3.4232	2.3246	1.3383	4.5000	3.9418	2.7748	2.1676		2.1568
F9	3.4232	2.3246	1.3383	4.5000	3.9418	2.7748	2.1676	2.1568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.409	C1	C2	F6	119.185
C2	C1	F4	122.277	C2	C1	F5	125.358
C2	C3	F7	111.903	C2	C3	F8	110.254
C2	C3	F9	110.254	C3	C2	F6	113.406
F4	C1	F5	112.365	F7	C3	F8	108.460
F7	C3	F9	108.460	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: MP2=FULL/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)