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	hartrees
Energy at 0K	-711.897258
Energy at 298.15K
HF Energy	-710.268596
Nuclear repulsion energy	506.665330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1842	1785	153.19
2	A'	1428	1384	174.38
3	A'	1329	1288	234.66
4	A'	1202	1165	215.65
5	A'	1195	1158	101.03
6	A'	1022	991	284.71
7	A'	749	726	11.27
8	A'	645	625	14.05
9	A'	591	573	0.36
10	A'	500	485	3.94
11	A'	367	356	0.82
12	A'	358	347	0.77
13	A'	253	245	1.12
14	A'	174	169	1.32
15	A"	1152	1116	290.48
16	A"	648	628	2.13
17	A"	563	546	0.88
18	A"	454	440	2.48
19	A"	245	237	0.80
20	A"	124	120	0.39
21	A"	41	40	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.429	0.000
C2	-0.502	0.174	0.000
C3	0.282	-1.101	0.000
F4	-0.817	2.489	0.000
F5	1.255	1.763	0.000
F6	-1.840	-0.017	0.000
F7	1.610	-0.876	0.000
F8	-0.023	-1.847	1.089
F9	-0.023	-1.847	-1.089

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3434	2.5487	1.3237	1.3212	2.3227	2.8258	3.4522	3.4522
C2	1.3434		1.4965	2.3361	2.3689	1.3524	2.3587	2.3446	2.3446
C3	2.5487	1.4965		3.7541	3.0251	2.3830	1.3471	1.3544	1.3544
F4	1.3237	2.3361	3.7541		2.1953	2.7069	4.1491	4.5399	4.5399
F5	1.3212	2.3689	3.0251	2.1953		3.5711	2.6635	3.9813	3.9813
F6	2.3227	1.3524	2.3830	2.7069	3.5711		3.5560	2.7991	2.7991
F7	2.8258	2.3587	1.3471	4.1491	2.6635	3.5560		2.1896	2.1896
F8	3.4522	2.3446	1.3544	4.5399	3.9813	2.7991	2.1896		2.1773
F9	3.4522	2.3446	1.3544	4.5399	3.9813	2.7991	2.1896	2.1773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.566	C1	C2	F6	118.988
C2	C1	F4	122.298	C2	C1	F5	125.500
C2	C3	F7	111.980	C2	C3	F8	110.560
C2	C3	F9	110.560	C3	C2	F6	113.445
F4	C1	F5	112.202	F7	C3	F8	108.290
F7	C3	F9	108.290	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: MP2=FULL/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=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)