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	hartrees
Energy at 0K	-713.225174
Energy at 298.15K
HF Energy	-713.225174
Nuclear repulsion energy	503.488676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1760	1746	134.79
2	A'	1337	1327	212.40
3	A'	1280	1271	175.51
4	A'	1172	1163	86.28
5	A'	1154	1145	199.80
6	A'	994	987	267.59
7	A'	726	720	8.43
8	A'	621	617	11.56
9	A'	569	565	0.16
10	A'	483	479	2.33
11	A'	352	349	0.47
12	A'	345	342	0.78
13	A'	243	241	0.71
14	A'	171	170	1.35
15	A"	1117	1108	264.61
16	A"	596	591	0.36
17	A"	508	505	1.00
18	A"	433	430	1.77
19	A"	225	224	0.56
20	A"	112	111	0.22
21	A"	16	16	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.433	0.000
C2	-0.508	0.177	0.000
C3	0.281	-1.105	0.000
F4	-0.818	2.505	0.000
F5	1.268	1.755	0.000
F6	-1.855	-0.010	0.000
F7	1.621	-0.869	0.000
F8	-0.024	-1.858	1.099
F9	-0.024	-1.858	-1.099

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3456	2.5562	1.3338	1.3319	2.3309	2.8297	3.4696	3.4696
C2	1.3456		1.5055	2.3482	2.3759	1.3603	2.3725	2.3630	2.3630
C3	2.5562	1.5055		3.7735	3.0261	2.4007	1.3612	1.3665	1.3665
F4	1.3338	2.3482	3.7735		2.2164	2.7200	4.1634	4.5687	4.5687
F5	1.3319	2.3759	3.0261	2.2164		3.5875	2.6482	3.9918	3.9918
F6	2.3309	1.3603	2.4007	2.7200	3.5875		3.5814	2.8245	2.8245
F7	2.8297	2.3725	1.3612	4.1634	2.6482	3.5814		2.2120	2.2120
F8	3.4696	2.3630	1.3665	4.5687	3.9918	2.8245	2.2120		2.1975
F9	3.4696	2.3630	1.3665	4.5687	3.9918	2.8245	2.2120	2.1975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.339	C1	C2	F6	118.957
C2	C1	F4	122.423	C2	C1	F5	125.082
C2	C3	F7	111.611	C2	C3	F8	110.640
C2	C3	F9	110.640	C3	C2	F6	113.704
F4	C1	F5	112.496	F7	C3	F8	108.377
F7	C3	F9	108.377	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: BLYP/6-31G**

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	0.451
2	C	0.148
3	C	0.712
4	F	-0.193
5	F	-0.188
6	F	-0.244
7	F	-0.228
8	F	-0.228
9	F	-0.228

	x	y	z	Total
	0.178	0.975	0.000	0.991
CHELPG
AIM
ESP

	x	y	z
x	5.214	0.404	0.000
y	0.404	7.017	0.000
z	0.000	0.000	3.578

<r²>	300.397
(<r²>)^1/2	17.332

All results from a given calculation for C3F6 (hexafluoropropene)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)