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	hartrees
Energy at 0K	-711.577673
Energy at 298.15K
HF Energy	-710.181152
Nuclear repulsion energy	509.757860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1922	1819	129.45
2	A'	1483	1404	206.37
3	A'	1409	1333	196.36
4	A'	1313	1243	133.15
5	A'	1266	1198	175.83
6	A'	1073	1016	255.70
7	A'	782	740	16.70
8	A'	660	625	15.95
9	A'	610	578	1.00
10	A'	513	486	4.29
11	A'	374	354	0.93
12	A'	366	346	0.85
13	A'	253	240	1.63
14	A'	181	172	1.82
15	A"	1284	1216	283.29
16	A"	650	615	2.59
17	A"	554	525	1.93
18	A"	469	444	5.10
19	A"	243	230	1.41
20	A"	124	118	0.49
21	A"	35	33	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.418	0.000
C2	-0.500	0.177	0.000
C3	0.280	-1.099	0.000
F4	-0.809	2.479	0.000
F5	1.254	1.740	0.000
F6	-1.833	-0.017	0.000
F7	1.599	-0.870	0.000
F8	-0.024	-1.831	1.083
F9	-0.024	-1.831	-1.083

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3289	2.5357	1.3191	1.3182	2.3087	2.8057	3.4252	3.4252
C2	1.3289		1.4961	2.3222	2.3489	1.3468	2.3460	2.3309	2.3309
C3	2.5357	1.4961		3.7401	3.0010	2.3741	1.3387	1.3421	1.3421
F4	1.3191	2.3222	3.7401		2.1910	2.6979	4.1245	4.5128	4.5128
F5	1.3182	2.3489	3.0010	2.1910		3.5515	2.6322	3.9444	3.9444
F6	2.3087	1.3468	2.3741	2.6979	3.5515		3.5364	2.7809	2.7809
F7	2.8057	2.3460	1.3387	4.1245	2.6322	3.5364		2.1757	2.1757
F8	3.4252	2.3309	1.3421	4.5128	3.9444	2.7809	2.1757		2.1654
F9	3.4252	2.3309	1.3421	4.5128	3.9444	2.7809	2.1757	2.1654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.585	C1	C2	F6	119.270
C2	C1	F4	122.554	C2	C1	F5	125.082
C2	C3	F7	111.581	C2	C3	F8	110.301
C2	C3	F9	110.301	C3	C2	F6	113.145
F4	C1	F5	112.364	F7	C3	F8	108.498
F7	C3	F9	108.498	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: CCD/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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All results from a given calculation for C3F6 (hexafluoropropene)

using model chemistry: CCD/6-31G*

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)