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	hartrees
Energy at 0K	-711.872842
Energy at 298.15K
HF Energy	-710.268056
Nuclear repulsion energy	506.241185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1837	1762	152.70
2	A'	1424	1365	174.83
3	A'	1326	1271	234.36
4	A'	1199	1150	218.36
5	A'	1192	1143	98.33
6	A'	1019	977	284.92
7	A'	748	717	11.23
8	A'	643	616	14.00
9	A'	590	566	0.35
10	A'	499	479	3.93
11	A'	366	351	0.81
12	A'	357	343	0.76
13	A'	252	242	1.14
14	A'	174	167	1.33
15	A"	1148	1101	290.67
16	A"	645	618	2.10
17	A"	561	538	0.93
18	A"	453	434	2.46
19	A"	244	234	0.80
20	A"	124	119	0.38
21	A"	41	39	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.430	0.000
C2	-0.502	0.174	0.000
C3	0.282	-1.102	0.000
F4	-0.817	2.491	0.000
F5	1.257	1.763	0.000
F6	-1.843	-0.016	0.000
F7	1.611	-0.876	0.000
F8	-0.023	-1.849	1.090
F9	-0.023	-1.849	-1.090

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3446	2.5509	1.3248	1.3222	2.3248	2.8266	3.4552	3.4552
C2	1.3446		1.4982	2.3380	2.3706	1.3538	2.3600	2.3471	2.3471
C3	2.5509	1.4982		3.7574	3.0267	2.3861	1.3481	1.3555	1.3555
F4	1.3248	2.3380	3.7574		2.1974	2.7092	4.1510	4.5441	4.5441
F5	1.3222	2.3706	3.0267	2.1974		3.5740	2.6630	3.9837	3.9837
F6	2.3248	1.3538	2.3861	2.7092	3.5740		3.5591	2.8028	2.8028
F7	2.8266	2.3600	1.3481	4.1510	2.6630	3.5591		2.1916	2.1916
F8	3.4552	2.3471	1.3555	4.5441	3.9837	2.8028	2.1916		2.1793
F9	3.4552	2.3471	1.3555	4.5441	3.9837	2.8028	2.1916	2.1793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.533	C1	C2	F6	118.987
C2	C1	F4	122.297	C2	C1	F5	125.475
C2	C3	F7	111.917	C2	C3	F8	110.567
C2	C3	F9	110.567	C3	C2	F6	113.480
F4	C1	F5	112.228	F7	C3	F8	108.310
F7	C3	F9	108.310	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)