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	hartrees
Energy at 0K	-710.955102
Energy at 298.15K
HF Energy	-709.932394
Nuclear repulsion energy	495.200196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1833	1766	98.23
2	A'	1379	1329	153.20
3	A'	1296	1249	139.45
4	A'	1214	1170	75.30
5	A'	1166	1124	131.04
6	A'	984	948	199.45
7	A'	704	678	14.52
8	A'	603	581	19.63
9	A'	562	542	2.32
10	A'	468	451	8.05
11	A'	350	337	2.98
12	A'	340	327	0.59
13	A'	247	238	1.87
14	A'	176	169	3.17
15	A"	1189	1145	239.61
16	A"	612	590	3.22
17	A"	488	471	1.46
18	A"	423	407	11.28
19	A"	227	219	3.52
20	A"	120	116	0.98
21	A"	22	21	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.029	1.436	0.000
C2	-0.493	0.176	0.000
C3	0.282	-1.109	0.000
F4	-0.858	2.531	0.000
F5	1.297	1.792	0.000
F6	-1.877	-0.028	0.000
F7	1.657	-0.879	0.000
F8	-0.029	-1.875	1.127
F9	-0.029	-1.875	-1.127

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3423	2.5645	1.3730	1.3727	2.3575	2.8646	3.4979	3.4979
C2	1.3423		1.5011	2.3824	2.4105	1.3993	2.3952	2.3862	2.3862
C3	2.5645	1.5011		3.8144	3.0735	2.4145	1.3944	1.3975	1.3975
F4	1.3730	2.3824	3.8144		2.2781	2.7540	4.2374	4.6227	4.6227
F5	1.3727	2.4105	3.0735	2.2781		3.6583	2.6954	4.0589	4.0589
F6	2.3575	1.3993	2.4145	2.7540	3.6583		3.6353	2.8453	2.8453
F7	2.8646	2.3952	1.3944	4.2374	2.6954	3.6353		2.2596	2.2596
F8	3.4979	2.3862	1.3975	4.6227	4.0589	2.8453	2.2596		2.2534
F9	3.4979	2.3862	1.3975	4.6227	4.0589	2.8453	2.2596	2.2534

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.739	C1	C2	F6	118.601
C2	C1	F4	122.658	C2	C1	F5	125.208
C2	C3	F7	111.570	C2	C3	F8	110.769
C2	C3	F9	110.769	C3	C2	F6	112.660
F4	C1	F5	112.134	F7	C3	F8	108.061
F7	C3	F9	108.061	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)