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	hartrees
Energy at 0K	-713.065158
Energy at 298.15K
HF Energy	-712.493838
Nuclear repulsion energy	510.529217

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1844	1844	166.96
2	A'	1415	1415	236.93
3	A'	1346	1346	223.33
4	A'	1225	1225	31.72
5	A'	1218	1218	315.05
6	A'	1044	1044	301.87
7	A'	769	769	12.98
8	A'	659	659	13.97
9	A'	604	604	0.34
10	A'	515	515	3.43
11	A'	372	372	0.52
12	A'	365	365	1.14
13	A'	257	257	1.10
14	A'	177	177	1.73
15	A"	1186	1186	316.14
16	A"	664	664	2.54
17	A"	575	575	0.82
18	A"	469	469	3.17
19	A"	247	247	1.01
20	A"	126	126	0.35
21	A"	32	32	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.419	0.000
C2	-0.502	0.178	0.000
C3	0.279	-1.097	0.000
F4	-0.802	2.474	0.000
F5	1.246	1.742	0.000
F6	-1.830	-0.011	0.000
F7	1.597	-0.873	0.000
F8	-0.023	-1.833	1.080
F9	-0.023	-1.833	-1.080

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3300	2.5338	1.3113	1.3098	2.3043	2.8069	3.4270	3.4270
C2	1.3300		1.4951	2.3153	2.3454	1.3418	2.3476	2.3327	2.3327
C3	2.5338	1.4951		3.7307	2.9988	2.3726	1.3370	1.3419	1.3419
F4	1.3113	2.3153	3.7307		2.1750	2.6891	4.1180	4.5083	4.5083
F5	1.3098	2.3454	2.9988	2.1750		3.5407	2.6383	3.9447	3.9447
F6	2.3043	1.3418	2.3726	2.6891	3.5407		3.5344	2.7844	2.7844
F7	2.8069	2.3476	1.3370	4.1180	2.6383	3.5344		2.1716	2.1716
F8	3.4270	2.3327	1.3419	4.5083	3.9447	2.7844	2.1716		2.1602
F9	3.4270	2.3327	1.3419	4.5083	3.9447	2.7844	2.1716	2.1602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.412	C1	C2	F6	119.189
C2	C1	F4	122.468	C2	C1	F5	125.368
C2	C3	F7	111.857	C2	C3	F8	110.505
C2	C3	F9	110.505	C3	C2	F6	113.399
F4	C1	F5	112.163	F7	C3	F8	108.313
F7	C3	F9	108.313	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-311G**

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)