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	hartrees
Energy at 0K	-711.734698
Energy at 298.15K
HF Energy	-710.218265
Nuclear repulsion energy	509.068764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1889	1813	147.34
2	A'	1461	1402	226.68
3	A'	1385	1329	209.88
4	A'	1283	1231	154.01
5	A'	1238	1188	190.11
6	A'	1053	1010	277.68
7	A'	776	744	16.30
8	A'	662	635	15.12
9	A'	610	586	0.82
10	A'	517	496	4.04
11	A'	374	358	0.85
12	A'	366	351	0.81
13	A'	253	243	1.37
14	A'	180	172	1.77
15	A"	1252	1201	316.27
16	A"	666	639	4.20
17	A"	579	556	0.82
18	A"	475	456	4.11
19	A"	250	240	1.22
20	A"	130	124	0.36
21	A"	38	37	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.022	1.425	0.000
C2	-0.509	0.177	0.000
C3	0.280	-1.104	0.000
F4	-0.798	2.489	0.000
F5	1.254	1.743	0.000
F6	-1.840	-0.015	0.000
F7	1.597	-0.873	0.000
F8	-0.022	-1.838	1.081
F9	-0.022	-1.838	-1.081

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3391	2.5465	1.3165	1.3150	2.3190	2.8112	3.4370	3.4370
C2	1.3391		1.5040	2.3297	2.3573	1.3457	2.3527	2.3376	2.3376
C3	2.5465	1.5040		3.7506	3.0085	2.3836	1.3369	1.3412	1.3412
F4	1.3165	2.3297	3.7506		2.1827	2.7120	4.1275	4.5264	4.5264
F5	1.3150	2.3573	3.0085	2.1827		3.5585	2.6385	3.9520	3.9520
F6	2.3190	1.3457	2.3836	2.7120	3.5585		3.5428	2.7923	2.7923
F7	2.8112	2.3527	1.3369	4.1275	2.6385	3.5428		2.1727	2.1727
F8	3.4370	2.3376	1.3412	4.5264	3.9520	2.7923	2.1727		2.1618
F9	3.4370	2.3376	1.3412	4.5264	3.9520	2.7923	2.1727	2.1618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.098	C1	C2	F6	119.484
C2	C1	F4	122.631	C2	C1	F5	125.283
C2	C3	F7	111.688	C2	C3	F8	110.362
C2	C3	F9	110.362	C3	C2	F6	113.418
F4	C1	F5	112.086	F7	C3	F8	108.448
F7	C3	F9	108.448	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)