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	hartrees
Energy at 0K	-707.329563
Energy at 298.15K
HF Energy	-706.337900
Nuclear repulsion energy	503.358898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1844	1761	101.49
2	A'	1406	1343	212.35
3	A'	1363	1302	149.94
4	A'	1289	1231	81.44
5	A'	1234	1178	107.25
6	A'	1039	992	191.01
7	A'	736	703	17.15
8	A'	636	607	16.11
9	A'	591	564	2.57
10	A'	496	474	6.26
11	A'	362	345	2.83
12	A'	353	337	0.16
13	A'	243	232	1.25
14	A'	194	186	3.01
15	A"	1262	1205	246.63
16	A"	679	648	9.06
17	A"	567	541	0.40
18	A"	456	436	6.47
19	A"	243	232	2.05
20	A"	133	127	0.52
21	A"	13i	12i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.985	0.990	0.000
C2	-0.247	0.493	0.000
C3	-0.584	-0.953	0.000
F4	1.232	2.322	0.000
F5	2.122	0.264	0.000
F6	-1.336	1.340	0.000
F7	0.550	-1.724	0.000
F8	-1.336	-1.278	1.106
F9	-1.336	-1.278	-1.106

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3285	2.4981	1.3542	1.3486	2.3476	2.7486	3.4290	3.4290
C2	1.3285		1.4855	2.3516	2.3793	1.3799	2.3558	2.3554	2.3554
C3	2.4981	1.4855		3.7450	2.9667	2.4138	1.3709	1.3765	1.3765
F4	1.3542	2.3516	3.7450		2.2421	2.7492	4.1026	4.5582	4.5582
F5	1.3486	2.3793	2.9667	2.2421		3.6212	2.5336	3.9440	3.9440
F6	2.3476	1.3799	2.4138	2.7492	3.6212		3.5979	2.8425	2.8425
F7	2.7486	2.3558	1.3709	4.1026	2.5336	3.5979		2.2315	2.2315
F8	3.4290	2.3554	1.3765	4.5582	3.9440	2.8425	2.2315		2.2126
F9	3.4290	2.3554	1.3765	4.5582	3.9440	2.8425	2.2315	2.2126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.095	C1	C2	F6	120.162
C2	C1	F4	122.465	C2	C1	F5	125.432
C2	C3	F7	111.061	C2	C3	F8	110.717
C2	C3	F9	110.717	C3	C2	F6	114.744
F4	C1	F5	112.103	F7	C3	F8	108.626
F7	C3	F9	108.626	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: MP2=FULL/3-21G

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: MP2=FULL/3-21G

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)