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	hartrees
Energy at 0K	-713.522019
Energy at 298.15K
HF Energy	-713.522019
Nuclear repulsion energy	509.483473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1832	1771	168.75
2	A'	1386	1340	243.59
3	A'	1323	1279	215.65
4	A'	1207	1167	94.29
5	A'	1195	1156	255.08
6	A'	1033	999	315.90
7	A'	762	737	11.95
8	A'	654	632	13.56
9	A'	597	577	0.22
10	A'	510	493	3.16
11	A'	368	356	0.39
12	A'	361	349	1.23
13	A'	255	247	0.97
14	A'	174	168	1.71
15	A"	1157	1119	315.01
16	A"	662	640	1.83
17	A"	568	550	0.80
18	A"	463	447	3.02
19	A"	243	235	0.97
20	A"	124	119	0.36
21	A"	27	26	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.421	0.000
C2	-0.502	0.181	0.000
C3	0.279	-1.098	0.000
F4	-0.803	2.479	0.000
F5	1.247	1.746	0.000
F6	-1.833	-0.007	0.000
F7	1.601	-0.877	0.000
F8	-0.024	-1.838	1.082
F9	-0.024	-1.838	-1.082

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3290	2.5370	1.3137	1.3121	2.3047	2.8146	3.4344	3.4344
C2	1.3290		1.4984	2.3173	2.3474	1.3439	2.3544	2.3405	2.3405
C3	2.5370	1.4984		3.7366	3.0044	2.3768	1.3407	1.3460	1.3460
F4	1.3137	2.3173	3.7366		2.1773	2.6906	4.1281	4.5183	4.5183
F5	1.3121	2.3474	3.0044	2.1773		3.5441	2.6469	3.9543	3.9543
F6	2.3047	1.3439	2.3768	2.6906	3.5441		3.5425	2.7924	2.7924
F7	2.8146	2.3544	1.3407	4.1281	2.6469	3.5425		2.1765	2.1765
F8	3.4344	2.3405	1.3460	4.5183	3.9543	2.7924	2.1765		2.1650
F9	3.4344	2.3405	1.3460	4.5183	3.9543	2.7924	2.1765	2.1650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.501	C1	C2	F6	119.131
C2	C1	F4	122.535	C2	C1	F5	125.435
C2	C3	F7	111.930	C2	C3	F8	110.624
C2	C3	F9	110.624	C3	C2	F6	113.369
F4	C1	F5	112.030	F7	C3	F8	108.213
F7	C3	F9	108.213	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	0.445
2	C	-0.059
3	C	0.684
4	F	-0.150
5	F	-0.145
6	F	-0.198
7	F	-0.192
8	F	-0.193
9	F	-0.193

	x	y	z	Total
	0.219	1.059	0.000	1.081
CHELPG
AIM
ESP

	x	y	z
x	4.902	0.438	0.000
y	0.438	6.514	0.000
z	0.000	0.000	3.472

<r²>	295.732
(<r²>)^1/2	17.197

All results from a given calculation for C3F6 (hexafluoropropene)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)