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	hartrees
Energy at 0K	-710.198240
Energy at 298.15K
HF Energy	-710.198240
Nuclear repulsion energy	513.900505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1822	1803	156.07
2	A'	1404	1389	238.94
3	A'	1351	1337	234.66
4	A'	1233	1220	157.07
5	A'	1201	1188	164.58
6	A'	1044	1033	290.55
7	A'	769	761	10.41
8	A'	653	646	14.98
9	A'	595	589	0.20
10	A'	505	500	3.37
11	A'	365	361	0.78
12	A'	357	353	0.77
13	A'	239	236	0.71
14	A'	171	169	1.44
15	A"	1160	1148	302.92
16	A"	653	646	1.97
17	A"	560	555	0.21
18	A"	454	449	1.74
19	A"	235	232	0.50
20	A"	116	115	0.23
21	A"	25	25	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	1.407	0.000
C2	-0.511	0.171	0.000
C3	0.273	-1.083	0.000
F4	-0.788	2.460	0.000
F5	1.245	1.712	0.000
F6	-1.827	-0.013	0.000
F7	1.583	-0.841	0.000
F8	-0.020	-1.824	1.074
F9	-0.020	-1.824	-1.074

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3301	2.5076	1.3028	1.3011	2.2981	2.7613	3.4046	3.4046
C2	1.3301		1.4792	2.3055	2.3363	1.3286	2.3259	2.3180	2.3180
C3	2.5076	1.4792		3.6984	2.9593	2.3572	1.3319	1.3372	1.3372
F4	1.3028	2.3055	3.6984		2.1656	2.6822	4.0641	4.4822	4.4822
F5	1.3011	2.3363	2.9593	2.1656		3.5229	2.5756	3.9056	3.9056
F6	2.2981	1.3286	2.3572	2.6822	3.5229		3.5091	2.7745	2.7745
F7	2.7613	2.3259	1.3319	4.0641	2.5756	3.5091		2.1652	2.1652
F8	3.4046	2.3180	1.3372	4.4822	3.9056	2.7745	2.1652		2.1486
F9	3.4046	2.3180	1.3372	4.4822	3.9056	2.7745	2.1652	2.1486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.316	C1	C2	F6	119.617
C2	C1	F4	122.237	C2	C1	F5	125.219
C2	C3	F7	111.553	C2	C3	F8	110.682
C2	C3	F9	110.682	C3	C2	F6	114.067
F4	C1	F5	112.544	F7	C3	F8	108.427
F7	C3	F9	108.427	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: SVWN/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	0.376
2	C	-0.119
3	C	0.542
4	F	-0.109
5	F	-0.101
6	F	-0.147
7	F	-0.147
8	F	-0.147
9	F	-0.147

	x	y	z	Total
	0.170	1.095	0.000	1.109
CHELPG
AIM
ESP

	x	y	z
x	5.021	0.405	0.000
y	0.405	6.678	0.000
z	0.000	0.000	3.558

<r²>	290.333
(<r²>)^1/2	17.039

All results from a given calculation for C3F6 (hexafluoropropene)

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

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)