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	hartrees
Energy at 0K	-711.630993
Energy at 298.15K
HF Energy	-710.203719
Nuclear repulsion energy	507.178074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1851	1742	155.54
2	A'	1431	1346	199.51
3	A'	1348	1268	244.45
4	A'	1223	1150	128.69
5	A'	1218	1145	204.61
6	A'	1035	973	284.15
7	A'	759	714	12.44
8	A'	645	607	15.91
9	A'	596	560	0.46
10	A'	502	472	4.50
11	A'	368	346	0.73
12	A'	359	338	1.00
13	A'	254	239	1.31
14	A'	174	164	1.55
15	A"	1181	1111	316.23
16	A"	637	599	2.58
17	A"	553	520	1.70
18	A"	457	429	3.35
19	A"	243	229	1.04
20	A"	124	116	0.44
21	A"	34	32	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.425	0.000
C2	-0.497	0.175	0.000
C3	0.281	-1.100	0.000
F4	-0.821	2.483	0.000
F5	1.255	1.760	0.000
F6	-1.837	-0.016	0.000
F7	1.610	-0.875	0.000
F8	-0.024	-1.843	1.090
F9	-0.024	-1.843	-1.090

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3371	2.5438	1.3242	1.3227	2.3158	2.8217	3.4447	3.4447
C2	1.3371		1.4937	2.3310	2.3634	1.3532	2.3543	2.3410	2.3410
C3	2.5438	1.4937		3.7488	3.0215	2.3798	1.3477	1.3535	1.3535
F4	1.3242	2.3310	3.7488		2.1984	2.6976	4.1455	4.5313	4.5313
F5	1.3227	2.3634	3.0215	2.1984		3.5660	2.6588	3.9754	3.9754
F6	2.3158	1.3532	2.3798	2.6976	3.5660		3.5526	2.7948	2.7948
F7	2.8217	2.3543	1.3477	4.1455	2.6588	3.5526		2.1896	2.1896
F8	3.4447	2.3410	1.3535	4.5313	3.9754	2.7948	2.1896		2.1792
F9	3.4447	2.3410	1.3535	4.5313	3.9754	2.7948	2.1896	2.1792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.862	C1	C2	F6	118.806
C2	C1	F4	122.301	C2	C1	F5	125.383
C2	C3	F7	111.799	C2	C3	F8	110.516
C2	C3	F9	110.516	C3	C2	F6	113.331
F4	C1	F5	112.316	F7	C3	F8	108.315
F7	C3	F9	108.315	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)