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	hartrees
Energy at 0K	-712.432913
Energy at 298.15K
HF Energy	-712.090789
Nuclear repulsion energy	499.050512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1836	1836	136.43
2	A'	1386	1386	174.14
3	A'	1303	1303	158.59
4	A'	1196	1196	49.32
5	A'	1178	1178	185.55
6	A'	996	996	228.36
7	A'	714	714	11.11
8	A'	612	612	18.98
9	A'	569	569	1.58
10	A'	474	474	6.67
11	A'	356	356	2.95
12	A'	343	343	0.50
13	A'	248	248	1.22
14	A'	178	178	2.86
15	A"	1164	1164	257.38
16	A"	632	632	2.84
17	A"	517	517	1.19
18	A"	427	427	7.64
19	A"	230	230	2.51
20	A"	122	122	0.78
21	A"	22	22	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.028	1.423	0.000
C2	-0.495	0.173	0.000
C3	0.277	-1.096	0.000
F4	-0.844	2.511	0.000
F5	1.286	1.771	0.000
F6	-1.868	-0.024	0.000
F7	1.644	-0.861	0.000
F8	-0.028	-1.865	1.118
F9	-0.028	-1.865	-1.118

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3345	2.5377	1.3595	1.3588	2.3411	2.8310	3.4730	3.4730
C2	1.3345		1.4860	2.3631	2.3926	1.3869	2.3765	2.3712	2.3712
C3	2.5377	1.4860		3.7768	3.0391	2.3986	1.3869	1.3907	1.3907
F4	1.3595	2.3631	3.7768		2.2544	2.7335	4.1904	4.5892	4.5892
F5	1.3588	2.3926	3.0391	2.2544		3.6287	2.6565	4.0241	4.0241
F6	2.3411	1.3869	2.3986	2.7335	3.6287		3.6109	2.8332	2.8332
F7	2.8310	2.3765	1.3869	4.1904	2.6565	3.6109		2.2477	2.2477
F8	3.4730	2.3712	1.3907	4.5892	4.0241	2.8332	2.2477		2.2358
F9	3.4730	2.3712	1.3907	4.5892	4.0241	2.8332	2.2477	2.2358

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.162	C1	C2	F6	118.672
C2	C1	F4	122.608	C2	C1	F5	125.330
C2	C3	F7	111.588	C2	C3	F8	110.990
C2	C3	F9	110.990	C3	C2	F6	113.166
F4	C1	F5	112.062	F7	C3	F8	108.046
F7	C3	F9	108.046	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31G

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)