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	hartrees
Energy at 0K	-711.729395
Energy at 298.15K
HF Energy	-710.218758
Nuclear repulsion energy	509.483089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1896	1796	147.74
2	A'	1467	1390	229.75
3	A'	1393	1319	208.14
4	A'	1291	1223	156.16
5	A'	1245	1179	192.03
6	A'	1058	1002	280.45
7	A'	780	739	16.78
8	A'	665	630	15.41
9	A'	613	580	0.86
10	A'	520	492	4.11
11	A'	375	355	0.85
12	A'	367	348	0.85
13	A'	254	241	1.40
14	A'	180	171	1.79
15	A"	1259	1193	317.09
16	A"	670	635	4.32
17	A"	582	551	0.82
18	A"	477	452	4.29
19	A"	251	238	1.27
20	A"	130	123	0.38
21	A"	38	36	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.022	1.424	0.000
C2	-0.508	0.177	0.000
C3	0.280	-1.103	0.000
F4	-0.797	2.487	0.000
F5	1.252	1.742	0.000
F6	-1.839	-0.015	0.000
F7	1.596	-0.873	0.000
F8	-0.022	-1.836	1.080
F9	-0.022	-1.836	-1.080

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3383	2.5457	1.3150	1.3136	2.3174	2.8100	3.4347	3.4347
C2	1.3383		1.5038	2.3277	2.3553	1.3444	2.3515	2.3359	2.3359
C3	2.5457	1.5038		3.7484	3.0068	2.3821	1.3354	1.3397	1.3397
F4	1.3150	2.3277	3.7484		2.1804	2.7101	4.1249	4.5229	4.5229
F5	1.3136	2.3553	3.0068	2.1804		3.5554	2.6376	3.9490	3.9490
F6	2.3174	1.3444	2.3821	2.7101	3.5554		3.5400	2.7897	2.7897
F7	2.8100	2.3515	1.3354	4.1249	2.6376	3.5400		2.1706	2.1706
F8	3.4347	2.3359	1.3397	4.5229	3.9490	2.7897	2.1706		2.1598
F9	3.4347	2.3359	1.3397	4.5229	3.9490	2.7897	2.1706	2.1598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.100	C1	C2	F6	119.504
C2	C1	F4	122.627	C2	C1	F5	125.280
C2	C3	F7	111.692	C2	C3	F8	110.333
C2	C3	F9	110.333	C3	C2	F6	113.396
F4	C1	F5	112.093	F7	C3	F8	108.464
F7	C3	F9	108.464	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: CCSD/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/cc-pVDZ

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)