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	hartrees
Energy at 0K	-711.575853
Energy at 298.15K
HF Energy	-710.179323
Nuclear repulsion energy	508.798252

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1873	1766	140.17
2	A'	1462	1379	209.66
3	A'	1385	1306	203.89
4	A'	1272	1200	125.19
5	A'	1246	1175	181.47
6	A'	1057	997	255.64
7	A'	770	726	13.69
8	A'	652	615	14.95
9	A'	603	569	0.69
10	A'	507	478	3.88
11	A'	371	350	1.00
12	A'	362	341	0.64
13	A'	249	235	1.31
14	A'	181	171	1.65
15	A"	1240	1169	284.77
16	A"	635	599	2.18
17	A"	547	516	2.29
18	A"	461	435	3.51
19	A"	239	225	0.98
20	A"	120	113	0.37
21	A"	34	32	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.419	0.000
C2	-0.502	0.173	0.000
C3	0.280	-1.096	0.000
F4	-0.811	2.480	0.000
F5	1.257	1.739	0.000
F6	-1.838	-0.018	0.000
F7	1.603	-0.861	0.000
F8	-0.023	-1.835	1.086
F9	-0.023	-1.835	-1.086

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3347	2.5330	1.3215	1.3202	2.3146	2.8010	3.4301	3.4301
C2	1.3347		1.4902	2.3275	2.3553	1.3501	2.3456	2.3323	2.3323
C3	2.5330	1.4902		3.7384	2.9987	2.3768	1.3444	1.3483	1.3483
F4	1.3215	2.3275	3.7384		2.1976	2.7001	4.1224	4.5183	4.5183
F5	1.3202	2.3553	2.9987	2.1976		3.5594	2.6230	3.9485	3.9485
F6	2.3146	1.3501	2.3768	2.7001	3.5594		3.5438	2.7887	2.7887
F7	2.8010	2.3456	1.3444	4.1224	2.6230	3.5438		2.1850	2.1850
F8	3.4301	2.3323	1.3483	4.5183	3.9485	2.7887	2.1850		2.1729
F9	3.4301	2.3323	1.3483	4.5183	3.9485	2.7887	2.1850	2.1729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.363	C1	C2	F6	119.114
C2	C1	F4	122.387	C2	C1	F5	125.033
C2	C3	F7	111.580	C2	C3	F8	110.403
C2	C3	F9	110.403	C3	C2	F6	113.524
F4	C1	F5	112.579	F7	C3	F8	108.476
F7	C3	F9	108.476	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)