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	hartrees
Energy at 0K	-711.619102
Energy at 298.15K
HF Energy	-710.206639
Nuclear repulsion energy	508.967914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1902	1770	147.17
2	A'	1462	1360	206.13
3	A'	1387	1291	223.83
4	A'	1280	1191	158.92
5	A'	1250	1163	178.41
6	A'	1061	987	279.40
7	A'	778	724	15.80
8	A'	658	612	17.94
9	A'	607	565	0.75
10	A'	512	476	4.98
11	A'	374	348	0.64
12	A'	365	339	1.29
13	A'	257	240	1.59
14	A'	176	163	1.72
15	A"	1242	1156	307.45
16	A"	654	608	3.25
17	A"	563	524	1.38
18	A"	467	434	4.82
19	A"	248	231	1.40
20	A"	127	118	0.55
21	A"	35	33	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.423	0.000
C2	-0.498	0.179	0.000
C3	0.281	-1.102	0.000
F4	-0.813	2.480	0.000
F5	1.251	1.755	0.000
F6	-1.831	-0.013	0.000
F7	1.602	-0.879	0.000
F8	-0.024	-1.837	1.084
F9	-0.024	-1.837	-1.084

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3312	2.5434	1.3187	1.3177	2.3078	2.8188	3.4353	3.4353
C2	1.3312		1.4990	2.3225	2.3540	1.3468	2.3513	2.3369	2.3369
C3	2.5434	1.4990		3.7452	3.0168	2.3761	1.3395	1.3445	1.3445
F4	1.3187	2.3225	3.7452		2.1876	2.6928	4.1372	4.5199	4.5199
F5	1.3177	2.3540	3.0168	2.1876		3.5528	2.6574	3.9624	3.9624
F6	2.3078	1.3468	2.3761	2.6928	3.5528		3.5405	2.7862	2.7862
F7	2.8188	2.3513	1.3395	4.1372	2.6574	3.5405		2.1764	2.1764
F8	3.4353	2.3369	1.3445	4.5199	3.9624	2.7862	2.1764		2.1672
F9	3.4353	2.3369	1.3445	4.5199	3.9624	2.7862	2.1764	2.1672

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.863	C1	C2	F6	119.026
C2	C1	F4	122.437	C2	C1	F5	125.414
C2	C3	F7	111.739	C2	C3	F8	110.420
C2	C3	F9	110.420	C3	C2	F6	113.111
F4	C1	F5	112.149	F7	C3	F8	108.362
F7	C3	F9	108.362	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: MP3/6-31+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: MP3/6-31+G**

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)