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	hartrees
Energy at 0K	-711.913800
Energy at 298.15K
HF Energy	-710.270148
Nuclear repulsion energy	507.349288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1880	1880	146.94
2	A'	1444	1444	176.69
3	A'	1352	1352	215.94
4	A'	1236	1236	175.18
5	A'	1218	1218	145.67
6	A'	1036	1036	276.12
7	A'	759	759	13.88
8	A'	651	651	15.20
9	A'	597	597	0.53
10	A'	506	506	4.24
11	A'	370	370	0.77
12	A'	361	361	0.96
13	A'	256	256	1.31
14	A'	174	174	1.43
15	A"	1197	1197	284.77
16	A"	656	656	2.55
17	A"	565	565	0.86
18	A"	460	460	3.49
19	A"	247	247	1.07
20	A"	127	127	0.46
21	A"	42	42	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.429	0.000
C2	-0.501	0.179	0.000
C3	0.282	-1.104	0.000
F4	-0.813	2.490	0.000
F5	1.253	1.763	0.000
F6	-1.837	-0.017	0.000
F7	1.607	-0.884	0.000
F8	-0.024	-1.844	1.085
F9	-0.024	-1.844	-1.085

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3387	2.5521	1.3219	1.3199	2.3192	2.8301	3.4487	3.4487
C2	1.3387		1.5033	2.3324	2.3638	1.3501	2.3605	2.3447	2.3447
C3	2.5521	1.5033		3.7575	3.0269	2.3823	1.3426	1.3488	1.3488
F4	1.3219	2.3324	3.7575		2.1902	2.7081	4.1517	4.5371	4.5371
F5	1.3199	2.3638	3.0269	2.1902		3.5660	2.6700	3.9772	3.9772
F6	2.3192	1.3501	2.3823	2.7081	3.5660		3.5513	2.7938	2.7938
F7	2.8301	2.3605	1.3426	4.1517	2.6700	3.5513		2.1815	2.1815
F8	3.4487	2.3447	1.3488	4.5371	3.9772	2.7938	2.1815		2.1709
F9	3.4487	2.3447	1.3488	4.5371	3.9772	2.7938	2.1815	2.1709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.694	C1	C2	F6	119.208
C2	C1	F4	122.478	C2	C1	F5	125.519
C2	C3	F7	111.962	C2	C3	F8	110.469
C2	C3	F9	110.469	C3	C2	F6	113.098
F4	C1	F5	112.004	F7	C3	F8	108.304
F7	C3	F9	108.304	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: CCSD=FULL/aug-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: CCSD=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)