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	hartrees
Energy at 0K	-710.950483
Energy at 298.15K
HF Energy	-709.931958
Nuclear repulsion energy	495.293787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1814	1724	117.73
2	A'	1380	1311	159.41
3	A'	1287	1223	157.67
4	A'	1190	1131	61.30
5	A'	1160	1102	159.80
6	A'	983	934	223.03
7	A'	703	668	12.68
8	A'	604	574	18.02
9	A'	564	536	1.86
10	A'	470	447	7.24
11	A'	353	335	2.96
12	A'	341	324	0.47
13	A'	247	235	1.57
14	A'	178	169	3.08
15	A"	1163	1105	253.30
16	A"	613	582	2.79
17	A"	496	472	2.16
18	A"	423	402	9.09
19	A"	228	217	2.96
20	A"	120	114	0.89
21	A"	20	19	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.028	1.434	0.000
C2	-0.492	0.173	0.000
C3	0.280	-1.105	0.000
F4	-0.858	2.526	0.000
F5	1.296	1.790	0.000
F6	-1.879	-0.027	0.000
F7	1.658	-0.871	0.000
F8	-0.028	-1.876	1.128
F9	-0.028	-1.876	-1.128

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3436	2.5574	1.3716	1.3712	2.3578	2.8555	3.4966	3.4966
C2	1.3436		1.4933	2.3810	2.4110	1.4012	2.3902	2.3843	2.3843
C3	2.5574	1.4933		3.8049	3.0678	2.4139	1.3973	1.4006	1.4006
F4	1.3716	2.3810	3.8049		2.2764	2.7489	4.2269	4.6189	4.6189
F5	1.3712	2.4110	3.0678	2.2764		3.6581	2.6853	4.0576	4.0576
F6	2.3578	1.4012	2.4139	2.7489	3.6581		3.6366	2.8493	2.8493
F7	2.8555	2.3902	1.3973	4.2269	2.6853	3.6366		2.2639	2.2639
F8	3.4966	2.3843	1.4006	4.6189	4.0576	2.8493	2.2639		2.2556
F9	3.4966	2.3843	1.4006	4.6189	4.0576	2.8493	2.2639	2.2556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.628	C1	C2	F6	118.395
C2	C1	F4	122.547	C2	C1	F5	125.266
C2	C3	F7	111.516	C2	C3	F8	110.917
C2	C3	F9	110.917	C3	C2	F6	112.977
F4	C1	F5	112.187	F7	C3	F8	108.028
F7	C3	F9	108.028	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)