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	hartrees
Energy at 0K	-711.717566
Energy at 298.15K
HF Energy	-710.219360
Nuclear repulsion energy	509.968291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1910	1827	142.22
2	A'	1476	1412	229.73
3	A'	1402	1341	208.61
4	A'	1303	1247	158.53
5	A'	1255	1201	191.18
6	A'	1065	1019	282.17
7	A'	784	750	17.75
8	A'	668	639	15.47
9	A'	616	589	0.94
10	A'	522	500	4.30
11	A'	376	360	0.81
12	A'	369	353	0.90
13	A'	255	244	1.49
14	A'	181	173	1.84
15	A"	1271	1216	318.06
16	A"	680	650	4.25
17	A"	587	561	0.68
18	A"	480	460	4.70
19	A"	253	242	1.38
20	A"	131	125	0.41
21	A"	38	37	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.424	0.000
C2	-0.508	0.178	0.000
C3	0.280	-1.103	0.000
F4	-0.796	2.485	0.000
F5	1.251	1.741	0.000
F6	-1.837	-0.014	0.000
F7	1.594	-0.874	0.000
F8	-0.023	-1.835	1.078
F9	-0.023	-1.835	-1.078

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3369	2.5451	1.3135	1.3122	2.3147	2.8096	3.4322	3.4322
C2	1.3369		1.5043	2.3251	2.3530	1.3424	2.3505	2.3344	2.3344
C3	2.5451	1.5043		3.7465	3.0056	2.3806	1.3334	1.3378	1.3378
F4	1.3135	2.3251	3.7465		2.1778	2.7072	4.1230	4.5192	4.5192
F5	1.3122	2.3530	3.0056	2.1778		3.5514	2.6382	3.9462	3.9462
F6	2.3147	1.3424	2.3806	2.7072	3.5514		3.5366	2.7871	2.7871
F7	2.8096	2.3505	1.3334	4.1230	2.6382	3.5366		2.1675	2.1675
F8	3.4322	2.3344	1.3378	4.5192	3.9462	2.7871	2.1675		2.1570
F9	3.4322	2.3344	1.3378	4.5192	3.9462	2.7871	2.1675	2.1570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.114	C1	C2	F6	119.516
C2	C1	F4	122.625	C2	C1	F5	125.299
C2	C3	F7	111.712	C2	C3	F8	110.306
C2	C3	F9	110.306	C3	C2	F6	113.369
F4	C1	F5	112.076	F7	C3	F8	108.474
F7	C3	F9	108.474	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)