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	hartrees
Energy at 0K	-711.659976
Energy at 298.15K
HF Energy	-710.376131
Nuclear repulsion energy	516.989797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1999	1858	202.71
2	A'	1533	1424	276.67
3	A'	1465	1361	244.85
4	A'	1358	1262	179.08
5	A'	1314	1221	221.83
6	A'	1125	1045	327.49
7	A'	830	771	19.12
8	A'	706	656	18.59
9	A'	647	602	1.11
10	A'	551	512	4.59
11	A'	396	368	0.47
12	A'	388	361	1.74
13	A'	273	254	1.55
14	A'	187	174	1.99
15	A"	1325	1231	351.30
16	A"	746	693	6.20
17	A"	629	584	0.66
18	A"	508	472	5.60
19	A"	269	250	1.61
20	A"	140	130	0.47
21	A"	43	40	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.407	0.000
C2	-0.496	0.182	0.000
C3	0.279	-1.092	0.000
F4	-0.789	2.448	0.000
F5	1.227	1.727	0.000
F6	-1.806	-0.011	0.000
F7	1.576	-0.875	0.000
F8	-0.024	-1.811	1.064
F9	-0.024	-1.811	-1.064

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3128	2.5173	1.2920	1.2908	2.2773	2.7876	3.3892	3.3892
C2	1.3128		1.4916	2.2848	2.3142	1.3238	2.3269	2.3081	2.3081
C3	2.5173	1.4916		3.6978	2.9741	2.3490	1.3148	1.3192	1.3192
F4	1.2920	2.2848	3.6978		2.1406	2.6610	4.0794	4.4561	4.4561
F5	1.2908	2.3142	2.9741	2.1406		3.4953	2.6262	3.9005	3.9005
F6	2.2773	1.3238	2.3490	2.6610	3.4953		3.4911	2.7474	2.7474
F7	2.7876	2.3269	1.3148	4.0794	2.6262	3.4911		2.1370	2.1370
F8	3.3892	2.3081	1.3192	4.4561	3.9005	2.7474	2.1370		2.1274
F9	3.3892	2.3081	1.3192	4.4561	3.9005	2.7474	2.1370	2.1274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.575	C1	C2	F6	119.471
C2	C1	F4	122.598	C2	C1	F5	125.457
C2	C3	F7	111.861	C2	C3	F8	110.245
C2	C3	F9	110.245	C3	C2	F6	112.954
F4	C1	F5	111.945	F7	C3	F8	108.444
F7	C3	F9	108.444	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)