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	hartrees
Energy at 0K	-712.001897
Energy at 298.15K
HF Energy	-710.226129
Nuclear repulsion energy	513.265287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1866	1762	138.23
2	A'	1455	1374	213.62
3	A'	1397	1319	189.35
4	A'	1275	1205	163.52
5	A'	1260	1190	124.66
6	A'	1070	1010	239.40
7	A'	783	740	14.05
8	A'	666	629	14.25
9	A'	614	580	0.50
10	A'	520	492	3.32
11	A'	375	354	0.66
12	A'	367	347	0.72
13	A'	249	235	1.13
14	A'	181	171	1.27
15	A"	1237	1168	257.28
16	A"	662	625	2.66
17	A"	583	551	0.81
18	A"	474	448	2.53
19	A"	247	233	0.76
20	A"	126	119	0.28
21	A"	40	38	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.414	0.000
C2	-0.507	0.174	0.000
C3	0.280	-1.092	0.000
F4	-0.791	2.468	0.000
F5	1.242	1.723	0.000
F6	-1.825	-0.019	0.000
F7	1.587	-0.860	0.000
F8	-0.023	-1.822	1.074
F9	-0.023	-1.822	-1.074

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3312	2.5248	1.3043	1.3023	2.3025	2.7858	3.4095	3.4095
C2	1.3312		1.4915	2.3113	2.3367	1.3318	2.3354	2.3178	2.3178
C3	2.5248	1.4915		3.7182	2.9752	2.3633	1.3271	1.3328	1.3328
F4	1.3043	2.3113	3.7182		2.1658	2.6932	4.0900	4.4886	4.4886
F5	1.3023	2.3367	2.9752	2.1658		3.5275	2.6054	3.9139	3.9139
F6	2.3025	1.3318	2.3633	2.6932	3.5275		3.5139	2.7664	2.7664
F7	2.7858	2.3354	1.3271	4.0900	2.6054	3.5139		2.1606	2.1606
F8	3.4095	2.3178	1.3328	4.4886	3.9139	2.7664	2.1606		2.1471
F9	3.4095	2.3178	1.3328	4.4886	3.9139	2.7664	2.1606	2.1471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.784	C1	C2	F6	119.674
C2	C1	F4	122.562	C2	C1	F5	125.059
C2	C3	F7	111.771	C2	C3	F8	110.174
C2	C3	F9	110.174	C3	C2	F6	113.543
F4	C1	F5	112.379	F7	C3	F8	108.643
F7	C3	F9	108.643	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)