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	hartrees
Energy at 0K	-711.898588
Energy at 298.15K
HF Energy	-710.269010
Nuclear repulsion energy	506.430427

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1870	1811	146.98
2	A'	1433	1388	174.26
3	A'	1340	1298	217.58
4	A'	1223	1185	172.93
5	A'	1207	1169	144.72
6	A'	1027	995	274.16
7	A'	753	729	13.37
8	A'	646	626	14.80
9	A'	593	574	0.49
10	A'	502	486	4.13
11	A'	367	356	0.77
12	A'	359	348	0.91
13	A'	254	246	1.30
14	A'	173	168	1.40
15	A"	1184	1147	284.85
16	A"	649	629	2.42
17	A"	561	543	0.92
18	A"	457	443	3.31
19	A"	246	238	1.03
20	A"	126	122	0.45
21	A"	41	40	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.431	0.000
C2	-0.502	0.179	0.000
C3	0.282	-1.106	0.000
F4	-0.814	2.495	0.000
F5	1.256	1.765	0.000
F6	-1.841	-0.016	0.000
F7	1.609	-0.885	0.000
F8	-0.024	-1.848	1.087
F9	-0.024	-1.848	-1.087

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3404	2.5554	1.3247	1.3227	2.3227	2.8337	3.4546	3.4546
C2	1.3404		1.5051	2.3365	2.3676	1.3531	2.3639	2.3492	2.3492
C3	2.5554	1.5051		3.7635	3.0314	2.3866	1.3453	1.3516	1.3516
F4	1.3247	2.3365	3.7635		2.1948	2.7121	4.1581	4.5456	4.5456
F5	1.3227	2.3676	3.0314	2.1948		3.5723	2.6729	3.9840	3.9840
F6	2.3227	1.3531	2.3866	2.7121	3.5723		3.5578	2.8002	2.8002
F7	2.8337	2.3639	1.3453	4.1581	2.6729	3.5578		2.1857	2.1857
F8	3.4546	2.3492	1.3516	4.5456	3.9840	2.8002	2.1857		2.1748
F9	3.4546	2.3492	1.3516	4.5456	3.9840	2.8002	2.1857	2.1748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.710	C1	C2	F6	119.162
C2	C1	F4	122.493	C2	C1	F5	125.507
C2	C3	F7	111.931	C2	C3	F8	110.527
C2	C3	F9	110.527	C3	C2	F6	113.128
F4	C1	F5	112.000	F7	C3	F8	108.279
F7	C3	F9	108.279	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: QCISD/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: QCISD/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)